SCHEMBL9196705

SCHEMBL9196705

CCCCc1[nH]cnc(=O)c1Cc1ccc(-c2ccccc2)c(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.39
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
ACHE P22303 1/20 0.37
WNT3A P56704 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
AGTR1 P30556 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GALR3 O60755 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
PSMB5 P28074 1/20 0.34
BRS3 P32247 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
SCHEMBL8979813 0.88 ACHE (0.46) PDE3BPDE3AACHEAGTR1
SCHEMBL9196708 0.84 CYP19A1 (0.41) CYP19A1PDE3BPDE3AACHEAGTR1
SCHEMBL9205134 0.83 ACHE (0.38) CYP19A1PDE3BPDE3AACHEAGTR1
SCHEMBL27863097 0.78 ALDH1A1 (0.39) CYP19A1PDE3BPDE3AACHEAGTR1
SCHEMBL8979747 0.76 BRS3 (0.54) AGTR1BRS3
SCHEMBL27771400 0.76 KDM4E (0.41) CYP19A1PDE3BPDE3AACHEKDM4E
SCHEMBL2692033 0.76 CYP19A1 (0.50) CYP19A1ACHEKDM4EGALR3ALDH1A1
SCHEMBL9274128 0.75 SMN1; SMN2 (0.36) ACHEWNT3AAGTR1GAABRS3
SCHEMBL9205143 0.75 CYP19A1 (0.39) CYP19A1PDE3BPDE3AACHEKDM4E
SCHEMBL28781819 0.75 CYP19A1 (0.39) CYP19A1PDE3BPDE3AACHEAGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641329-A1 COMPOUNDS HAVING ANGIOTENSINE II ANTAGONISTIC ACTIVITY ISTITUTO LUSO FARMACO D'ITALIA S.p.A. (IT) 1995-03-08 EP disclosed