SCHEMBL7877352

SCHEMBL7877352

COc1ccc(OCC(C)(C)NCCCn2ccnc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
ATM Q13315 1/20 0.63
GAA P10253 1/20 0.59
QPCT Q16769 7/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.56
MAOB P27338 1/20 0.56
POLB P06746 1/20 0.54
KDM4E B2RXH2 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NOS1 P29475 1/20 0.48

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 SCHEMBL7873740 0.98 KMT2A (0.64) KMT2AMEN1ATMGAAQPCT
SCHEMBL7868710 0.91 QPCT (0.64) KMT2AMEN1ATMGAAQPCT
SCHEMBL7873818 0.89 PKM (0.59) KMT2AMEN1ATMGAAQPCT
SCHEMBL7868648 0.89 KMT2A (0.53) KMT2AMEN1ATMGAAQPCT
SCHEMBL7873758 0.89 TBXAS1 (0.56) KMT2AMEN1ATMGAAQPCT
Hydrochloric Acid SCHEMBL7903386 0.88 PKM (0.58) KMT2AMEN1ATMGAAQPCT
SCHEMBL7877092 0.87 NOS1 (0.67) KMT2AMEN1ATMGAAQPCT
SCHEMBL7868600 0.87 QPCT (0.53) KMT2AMEN1ATMGAAQPCT
Hydrochloric Acid SCHEMBL7877310 0.85 QPCT (0.51) KMT2AMEN1ATMGAAQPCT
SCHEMBL7877344 0.85 TBXAS1 (0.53) KMT2AMEN1GAAQPCTALDH1A1

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 6 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-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 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