SCHEMBL7877337

SCHEMBL7877337

CCCCCCN(C(C)=O)c1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
PAX8 Q06710 2/20 0.47
JAK2 O60674 1/20 0.47
MGLL Q99685 2/20 0.46
LTB4R2 Q9NPC1 1/20 0.45
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MLYCD O95822 2/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
GPX4 P36969 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN11 Q06124 1/20 0.38
PTPRO Q16827 1/20 0.38

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
SCHEMBL11467913 1.00 PGR (0.47) PGRNPC1RAB9APAX8JAK2
SCHEMBL4478516 0.85 PGR (0.44) PGRNPC1RAB9APAX8JAK2
SCHEMBL4498494 0.84 PGR (0.45) PGRNPC1RAB9APAX8JAK2
SCHEMBL8390888 0.81 NPC1 (0.51) NPC1RAB9APAX8JAK2LTB4R2
SCHEMBL13791513 0.81 NPC1 (0.55) NPC1RAB9APAX8JAK2LTB4R2
SCHEMBL4305897 0.81 PGR (0.64) PGRNPC1LTB4R2TSHRMLYCD
SCHEMBL4490019 0.80 PGR (0.47) PGRNPC1RAB9ALTB4R2MLYCD
SCHEMBL6543765 0.80 NPC1 (0.50) NPC1RAB9APAX8JAK2MLYCD
SCHEMBL3930753 0.80 NPC1 (0.50) NPC1RAB9APAX8JAK2TSHR
SCHEMBL9809230 0.80 NPC1 (0.69) NPC1RAB9APAX8JAK2TSHR

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