SCHEMBL7868600

SCHEMBL7868600

CSc1ccc(OCC(C)(C)NCCCn2ccnc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 3/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 3/20 0.47
ATM Q13315 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NOS1 P29475 3/20 0.46

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
Hydrochloric Acid SCHEMBL7877310 0.98 QPCT (0.51) QPCTKMT2AMEN1POLBLMNA
SCHEMBL7868710 0.87 QPCT (0.64) QPCTKMT2AMEN1POLBLMNA
SCHEMBL7877352 0.87 KMT2A (0.63) QPCTKMT2AMEN1POLBLMNA
SCHEMBL7873818 0.86 PKM (0.59) QPCTKMT2AMEN1POLBLMNA
SCHEMBL7868648 0.86 KMT2A (0.53) QPCTKMT2AMEN1POLBLMNA
SCHEMBL7873758 0.86 TBXAS1 (0.56) QPCTKMT2AMEN1POLBLMNA
Hydrochloric Acid SCHEMBL7903386 0.85 PKM (0.58) QPCTKMT2AMEN1POLBLMNA
Hydrochloric Acid SCHEMBL7873740 0.85 KMT2A (0.64) QPCTKMT2AMEN1POLBLMNA
SCHEMBL7877092 0.84 NOS1 (0.67) QPCTKMT2AMEN1POLBLMNA
SCHEMBL7875306 0.83 ADRB1 (0.51) QPCTKMT2AMEN1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326500-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS ABBOTT LABORATORIES 2001-12-04 US disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-5780642-A NON-STEROIDAL ANTIINFLAMMATORY AGENT WHICH BLOCKS RELEASE OF ARACHIDONIC ACID FROM PHOSPHOLIPIDS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed