SCHEMBL7876970

SCHEMBL7876970

CCCCCc1cc(C(C)(C)NCCCn2ccnc2)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.48
QPCT Q16769 9/20 0.48
QPCTL Q9NXS2 1/20 0.46
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7877322 0.87 SMN1; SMN2 (0.43) QPCTPOLBMAPK1HTTSMN1; SMN2
SCHEMBL7879619 0.86 SMN1; SMN2 (0.46) QPCTMAPK1HTTSMN1; SMN2
SCHEMBL7877020 0.86 MAPK1 (0.46) POLBMAPK1HTTSMN1; SMN2
SCHEMBL7875135 0.83 QPCT (0.46) CYP19A1QPCTQPCTLPOLB
SCHEMBL9021654 0.82 MAPK1 (0.43) POLBMAPK1HTTSMN1; SMN2
SCHEMBL7877316 0.82 SMN1; SMN2 (0.44) POLBMAPK1HTTSMN1; SMN2
SCHEMBL8949449 0.74 ALDH1A1 (0.56) CYP19A1QPCTPOLBSMN1; SMN2
SCHEMBL8447205 0.74 SOD1 (0.54) CYP19A1QPCTPOLBSMN1; SMN2
SCHEMBL9021117 0.74 MEN1 (0.46) CYP19A1QPCTQPCTLPOLBSMN1; SMN2
SCHEMBL7879552 0.74 CYP19A1 (0.64) CYP19A1QPCTPOLB

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