SCHEMBL5165082

SCHEMBL5165082

CCCCCCCCCCCCCCCCCCn1ccnc1C

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.85
▸ KMT2A Q03164 2/20 0.85
▸ POLB P06746 1/20 0.85
▸ TLR8 Q9NR97 2/20 0.62
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ TSHR P16473 1/20 0.47
▸ P2RX7 Q99572 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ TBXAS1 P24557 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2328687 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL4068798 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL4070067 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL4234596 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL25267924 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL25270261 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL25240227 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL25267373 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL634872 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL363481 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015121357-A1 METHOD FOR HYDROGENATING CARBON DIOXIDE INTO FORMAMIDES BAYER TECHNOLOGY SERVICES GMBH (DE) 2015-08-20 — — WO claimed
WO-2014095982-A1 PROCESS FOR THE HYDROHALOGENATION OF AN UNSATURATED HYDROCARBON SOLVAY SA (BE) 2014-06-26 — — WO disclosed
WO-2014081793-A1 NITROGEN-SULFUR-CARBON NANOCOMPOSITES AND THEIR APPLICATION AS CATHODE MATERIALS IN LITHIUM-SULFUR BATTERIES UT-BATTELLE, LLC (US) 2014-05-30 — — WO disclosed
WO-2014001420-A1 PROCESS FOR THE HYDROHALOGENATION OF AN UNSATURATED HYDROCARBON SOLVAY SA (BE) 2014-01-03 — — WO disclosed
WO-2012113778-A1 PROCESS FOR THE HYDROHALOGENATION OF AN ALKYNE AND FOR THE MANUFACTURE OF VINYL CHLORIDE BY HYDROCHLORINATION OF ACETYLENE SOLVAY SA (BE) 2012-08-30 — — WO disclosed
US-20090253879-A1 POLYMER COMPOUND AND OIL ABSORBENT FUJIFILM CORPORATION (JP) 2009-10-08 — — US disclosed
US-20090244693-A1 POLYMER GEL-CONTAINING COMPOSITION, LIGHT MODULATING DEVICE AND LIGHT MODULATING METHOD FUJIFILM CORPORATION (JP) 2009-10-01 — — US disclosed
EP-1595910-B1 Derivatised, permanently quaternised nitrogen atoms bearing, linear or branched aminofunctional organopolysiloxanes SCHILL & SEILACHER STRUKTOL AG (DE) 2007-05-30 — — EP disclosed
EP-1561770-B1 Branched Polyorganosiloxane with quaternary Ammoniumgroups SCHILL & SEILACHER STRUKTOL AG (DE) 2007-04-04 — — EP disclosed
EP-1595910-A1 Derivatised, permanently quaternised nitrogen atoms bearing, linear or branched aminofunctional organopolysiloxanes Schill + Seilacher "Struktol" Aktiengesellschaft (DE) 2005-11-16 — — EP disclosed
EP-1561770-A1 Branched Polyorganosiloxane with quaternary Ammoniumgroups Schill + Seilacher "Struktol" Aktiengesellschaft (DE) 2005-08-10 — — EP disclosed
EP-0066884-B1 OXYGEN-ADSORBING AND DESORBING AGENT TAIHO PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 — — EP disclosed
EP-0066884-A2 Oxygen-adsorbing and desorbing agent TAIHO PHARMACEUTICAL CO., LTD. (JP) 1982-12-15 — — EP disclosed
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