SCHEMBL7873766

SCHEMBL7873766

CC(=O)N(c1ccc(C#N)cc1)C1CCCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNK O75909 2/20 0.47
CDK12 Q9NYV4 2/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
EPHX1 P07099 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
PAX8 Q06710 2/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
APAF1 O14727 1/20 0.43
TDP2 O95551 1/20 0.43
S1PR4 O95977 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
XBP1 P17861 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
SCHEMBL19418280 0.97 CCNK (0.48) CCNKCDK12CCNA2CDK2LMNA
SCHEMBL1539141 0.83 NPC1 (0.42) CCNKCDK12CCNA2CDK2RAB9A
SCHEMBL8920546 0.81 LMNA (0.55) LMNARAB9ANPC1EPHX1KDM4E
SCHEMBL11807077 0.80 LMNA (0.50) LMNARAB9ANPC1EPHX1KDM4E
SCHEMBL3908885 0.80 LMNA (0.50) LMNARAB9ANPC1KDM4EALDH1A1
SCHEMBL21152972 0.79 GPR119 (0.44) CCNKCDK12CCNA2CDK2RAB9A
SCHEMBL6601536 0.79 KDM4E (0.64) LMNARAB9ANPC1KDM4EALDH1A1
SCHEMBL27302165 0.78 MAOA (0.44) CCNKCDK12CCNA2CDK2RAB9A
SCHEMBL10533797 0.78 MAOA (0.38) CCNKCDK12CCNA2CDK2RAB9A
SCHEMBL27680035 0.76 MAOA (0.39) CCNKCDK12CCNA2CDK2RAB9A

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