SCHEMBL4640792

SCHEMBL4640792

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.39
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TAAR1 Q96RJ0 2/20 0.35
THRB P10828 1/20 0.35
FBP1 P09467 1/20 0.33
PTGS1 P23219 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
NAMPT P43490 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
NLRP3 Q96P20 1/20 0.32

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
SCHEMBL4642176 0.88 NAMPT (0.37) CYP19A1KDM4ENAMPT
SCHEMBL4644539 0.84 NPC1 (0.42) ABCC8KCNJ11MAPTKDM4ETAAR1
SCHEMBL5091768 0.73 GSK3B (0.49) MAPTKDM4ETAAR1HTTL3MBTL1
SCHEMBL4642499 0.72 FBP1 (0.35) MAPTKDM4EFBP1HTT
SCHEMBL8205834 0.71 GAA (0.42) KDM4ENAMPTHTTL3MBTL1
SCHEMBL2352076 0.70 CYP19A1 (0.50) CYP19A1
SCHEMBL2352068 0.70 CYP19A1 (0.50) CYP19A1
SCHEMBL2352073 0.70 CYP19A1 (0.50) CYP19A1
SCHEMBL10363200 0.69 NPC1 (0.54) MAPTKDM4ETAAR1NAMPTHTT
SCHEMBL8212307 0.68 ALDH1A1 (0.47) MAPTKDM4ENAMPTHTT

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