SCHEMBL14933537

SCHEMBL14933537

O=C1C2CC=CC=C2c2c(ccc3ccccc23)N1c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ PKM P14618 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ XIAP P98170 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ P2RX4 Q99571 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GAA P10253 2/20 0.30
▸ WDR5 P61964 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ RCE1 Q9Y256 1/20 0.30

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
SCHEMBL17278340 0.81 HSD17B10 (0.31) ALDH1A1MAPTHPGDHSD17B10KMT2A
SCHEMBL4763054 0.67 FPR1 (0.38) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL24771380 0.63 EGFR (0.30) —
SCHEMBL299840 0.60 HSPA1A (0.56) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL25615736 0.60 DNMT1 (0.44) ALDH1A1MAPTHSD17B10KMT2AMEN1
SCHEMBL21236807 0.60 MEN1 (0.33) ALDH1A1HPGDKMT2AMEN1GAA
SCHEMBL16281050 0.60 ALDH1A1 (0.44) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL28678587 0.59 MGLL (0.50) ALDH1A1PKMHPGDKMT2AMEN1
SCHEMBL23155078 0.58 DDB1 (0.43) ALDH1A1MAPTHPGDHSD17B10KMT2A
SCHEMBL9857022 0.57 — —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773721-B1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2015-11-25 — — EP disclosed
WO-2013064206-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2013-05-10 — — WO disclosed
Send feedback