SCHEMBL5990970

SCHEMBL5990970

Cn1nnc2ccc(N(N)Cc3ccc(C#N)cc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.40
KMT2A Q03164 1/20 0.40
DHFR P00374 1/20 0.36
KDM1A O60341 1/20 0.35
STS P08842 1/20 0.35
SLC9A1 P19634 1/20 0.35
KEAP1 Q14145 1/20 0.35
KCNJ1 P48048 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL5991686 0.80 CYP19A1 (0.52) CYP19A1STS
SCHEMBL8710073 0.78 SLC6A4 (0.43) CYP19A1KMT2ASLC9A1KEAP1
SCHEMBL4245748 0.77 SLC9A1 (0.48) CYP19A1KMT2ASLC9A1KEAP1
Hydrochloric Acid SCHEMBL8710121 0.77 SLC6A4 (0.43) CYP19A1KMT2ASLC9A1KEAP1
SCHEMBL8445461 0.76 CYP19A1 (0.40) CYP19A1
SCHEMBL5992333 0.73 LOXL2 (0.54) CYP19A1KMT2ASTSKCNJ1KCNH2
SCHEMBL5991160 0.70 CYP2A6 (0.55) CYP19A1KDM1A
SCHEMBL282111 0.68 SLC9A1 (0.48) CYP19A1SLC9A1KEAP1
SCHEMBL22862868 0.68 KEAP1 (0.48) CYP19A1SLC9A1KEAP1
SCHEMBL19915948 0.68 HCAR3 (0.50) KMT2ASLC9A1KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572665-B1 1-N-PHENYLAMINO-1H-IMIDAZOLE DERIVATIVES AS AROMATASE INHIBITORS THERAMEX (MC) 2006-05-03 EP disclosed
EP-1431292-A1 1-N-phenylamino-1H-imidazole derivatives as aromatase inhibitors LABORATOIRE THERAMEX (MC) 2004-06-23 EP disclosed
US-6737433-B1 ESTROGEN DEPENDENT ANTITUMOR AGENTS LABORATOIRE THERAMEX (MC) 2004-05-18 US disclosed