SCHEMBL7952723

SCHEMBL7952723

N#Cc1c(C#N)c(-c2cccnc2)n2c1C=CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.43
CYP11B1 P15538 3/20 0.39
MAOA P21397 1/20 0.39
ADORA2A P29274 3/20 0.39
ADORA1 P30542 3/20 0.39
DYRK1A Q13627 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
KDM4E B2RXH2 3/20 0.37
HTT P42858 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GAA P10253 2/20 0.37
ADORA2B P29275 1/20 0.37
KMT2A Q03164 1/20 0.37
GLA P06280 1/20 0.37
IKBKB O14920 1/20 0.37
CYP1A2 P05177 2/20 0.36
ALDH1A1 P00352 2/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TSHR P16473 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL7961492 0.89 CYP11B2 (0.43) CYP11B2CYP11B1MAOAADORA2AADORA1
SCHEMBL2158233 0.89 CYP11B2 (0.42) CYP11B2CYP11B1MAOAADORA2AADORA1
SCHEMBL7962786 0.88 CYP11B2 (0.41) CYP11B2CYP11B1MAOAADORA2AADORA1
SCHEMBL7962090 0.86 CYP11B2 (0.39) CYP11B2CYP11B1MAOAADORA2AADORA1
SCHEMBL8329319 0.85 CYP11B2 (0.38) CYP11B2CYP11B1MAOAADORA2AADORA1
SCHEMBL7965727 0.84 MKNK1 (0.38) CYP11B2CYP11B1MAOAADORA2AADORA1
SCHEMBL7961877 0.84 CYP11B2 (0.40) CYP11B2CYP11B1MAOAADORA1DYRK1A
SCHEMBL7964071 0.81 CYP11B2 (0.39) CYP11B2CYP11B1ADORA2AADORA1KMT2A
SCHEMBL7964888 0.76 CYP11B2 (0.32) CYP11B2KDM4ECYP1A2ALDH1A1
SCHEMBL7967472 0.76 CYP11B2 (0.39) CYP11B2CYP11B1

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
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
EP-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP disclosed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 WO disclosed