SCHEMBL7961877

SCHEMBL7961877

CC(=O)c1c(C#N)c(-c2cccnc2)n2c1C=CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 12/20 0.40
CYP11B1 P15538 5/20 0.39
RXFP1 Q9HBX9 1/20 0.37
MAOA P21397 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
DYRK1A Q13627 1/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP19A1 P11511 1/20 0.35
ADORA1 P30542 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GLA P06280 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
SCHEMBL8329319 0.90 CYP11B2 (0.38) CYP11B2CYP11B1RXFP1MAOAKDM4E
SCHEMBL7965727 0.89 MKNK1 (0.38) CYP11B2CYP11B1MAOADYRK1AKDM4E
SCHEMBL7964071 0.89 CYP11B2 (0.39) CYP11B2CYP11B1CYP3A4MEN1ALDH1A1
SCHEMBL7963271 0.85 CYP2A6 (0.38) CYP11B2CYP11B1CYP3A4CYP2A6CYP2C9
SCHEMBL7963276 0.84 CYP11B2 (0.39) CYP11B2CYP11B1CYP3A4CYP2A6CYP2C9
SCHEMBL7952723 0.84 CYP11B2 (0.43) CYP11B2CYP11B1RXFP1MAOACYP3A4
SCHEMBL7962951 0.83 CYP11B2 (0.37) CYP11B2CYP11B1CYP3A4CYP2A6CYP2C9
SCHEMBL7967982 0.82 CYP11B2 (0.37) CYP11B2CYP11B1CYP3A4CYP2A6CYP2C9
SCHEMBL7961492 0.81 CYP11B2 (0.43) CYP11B2CYP11B1RXFP1MAOADYRK1A
SCHEMBL7963785 0.80 KDM4E (0.32) KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US claimed
EP-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP claimed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 WO claimed
US-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US disclosed