SCHEMBL4642176

SCHEMBL4642176

N#Cc1ccc(/C(=C\c2ccc(F)cc2)Cc2ncc[nH]2)cc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.37
VNN1 O95497 1/20 0.36
CYP19A1 P11511 6/20 0.35
HTR2B P41595 1/20 0.35
EPHX2 P34913 1/20 0.35
NSD2 O96028 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL4640792 0.88 CYP19A1 (0.39) NAMPTCYP19A1KDM4E
SCHEMBL8205834 0.83 GAA (0.42) NAMPTHTR2BKDM4E
SCHEMBL8212307 0.80 ALDH1A1 (0.47) NAMPTHTR2BKDM4EMAPK14
SCHEMBL4644539 0.76 NPC1 (0.42) NAMPTKDM4ETP53
SCHEMBL8206086 0.74 GAA (0.43) NAMPTHTR2BKDM4E
SCHEMBL5091768 0.73 GSK3B (0.49) KDM4E
SCHEMBL4642499 0.72 FBP1 (0.35) KDM4E
SCHEMBL8205624 0.71 CA2 (0.46) TP53MAPK14
SCHEMBL8204858 0.71 GAA (0.36) NAMPTHTR2BKDM4E
SCHEMBL8273539 0.71 GAA (0.43) NAMPTKDM4E

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
EP-1804805-A4 USE OF AROMATASE INHIBITORS FOR THE TREATMENT OF ECTOPIC PREGNANCY UNIV WAYNE STATE (US) 2008-08-13 EP disclosed
EP-1804819-A4 USE OF AROMATASE INHIBITORS FOR ENDOMETRIAL THINNING IN PREPARATION FOR SURGICAL PROCEDURES ON THE ENDOMETRIAL CAVITY AND UTERUS UNIV WAYNE STATE (US) 2007-12-12 EP disclosed
EP-1804805-A2 USE OF AROMATASE INHIBITORS FOR THE TREATMENT OF ECTOPIC PREGNANCY WAYNE STATE UNIVERSITY (US) 2007-07-11 EP disclosed
EP-1804819-A2 USE OF AROMATASE INHIBITORS FOR ENDOMETRIAL THINNING IN PREPARATION FOR SURGICAL PROCEDURES ON THE ENDOMETRIAL CAVITY AND UTERUS WAYNE STATE UNIVERSITY (US) 2007-07-11 EP disclosed
WO-2006041939-A2 USE OF AROMATASE INHIBITORS FOR ENDOMETRIAL THINNING IN PREPARATION FOR SURGICAL PROCEDURES ON THE ENDOMETRIAL CAVITY AND UTERUS WAYNE STATE UNIVERSITY (US) 2006-04-20 WO disclosed
WO-2006041941-A2 USE OF AROMATASE INHIBITORS FOR THE TREATMENT OF ECTOPIC PREGNANCY WAYNE STATE UNIVERSITY (US) 2006-04-20 WO disclosed