SCHEMBL3431902

SCHEMBL3431902

CN(Nc1ccc(C#N)cc1)c1ccc(C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
HTT P42858 2/20 0.45
HPGD P15428 1/20 0.45
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP2A6 P11509 2/20 0.41
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39
CYP1B1 Q16678 1/20 0.39
KDM1A O60341 2/20 0.38
IDO1 P14902 1/20 0.38
MMP2 P08253 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
Hydrochloric Acid SCHEMBL3432097 0.98 KDM4E (0.44) KDM4EHTTHPGDCRHBPCRHR2
SCHEMBL5019558 0.79 LOXL2 (0.47) KDM4EHTTHPGDALDH1A1CYP2A6
SCHEMBL12440823 0.78 ALDH1A1 (0.43) KDM4EHTTHPGDCRHBPCRHR2
SCHEMBL22995534 0.76 KDM1A (0.53) KDM4EHTTHPGDALDH1A1CYP2A6
SCHEMBL22299882 0.74 ALDH1A1 (0.50) HTTHPGDALDH1A1CA2CA1
SCHEMBL8550513 0.73 CYP2A6 (0.52) KDM4EALDH1A1CYP2A6CA2CA1
SCHEMBL60385 0.73 ALDH1A1 (0.58) KDM4EALDH1A1CYP2A6CA2LOXL2
SCHEMBL15718027 0.72 MAPT (0.45) KDM4EHTTHPGDCRHBPCRHR2
SCHEMBL3432965 0.72 CYP2A6 (0.50) KDM4EALDH1A1CYP2A6CA2CA1
SCHEMBL28669343 0.72 CYP2A6 (0.50) KDM4ECRHBPCRHR2ALDH1A1CYP2A6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010146391-A1 REGIOSELECTIVE SYNTHESIS OF LETROZOLE GENERICS [UK] LIMITED (GB) 2010-12-23 WO claimed
WO-2010146391-A1 REGIOSELECTIVE SYNTHESIS OF LETROZOLE GENERICS [UK] LIMITED (GB) 2010-12-23 WO disclosed