SCHEMBL7962090

SCHEMBL7962090

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.39
ADORA1 P30542 2/20 0.36
CYP11B1 P15538 2/20 0.35
MAOA P21397 1/20 0.35
ADORA2A P29274 2/20 0.35
DYRK1A Q13627 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 5/20 0.33
GAA P10253 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GLA P06280 2/20 0.33
HPGD P15428 2/20 0.33
ADORA2B P29275 1/20 0.33
KMT2A Q03164 1/20 0.33
IKBKB O14920 1/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APOBEC3G Q9HC16 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
SCHEMBL7952723 0.86 CYP11B2 (0.43) CYP11B2ADORA1CYP11B1MAOAADORA2A
SCHEMBL7961492 0.82 CYP11B2 (0.43) CYP11B2ADORA1CYP11B1MAOAADORA2A
SCHEMBL2158233 0.82 CYP11B2 (0.42) CYP11B2ADORA1CYP11B1MAOAADORA2A
SCHEMBL7962786 0.82 CYP11B2 (0.41) CYP11B2ADORA1CYP11B1MAOAADORA2A
SCHEMBL8327305 0.80 MKNK1 (0.36) CYP11B2ALDH1A1
SCHEMBL7953220 0.80 CYP11B2 (0.36) CYP11B2CYP11B1KDM4EALDH1A1HTT
SCHEMBL7967982 0.79 CYP11B2 (0.37) CYP11B2CYP11B1ALDH1A1CYP1A2
SCHEMBL7963174 0.79 MKNK1 (0.37) CYP11B2
SCHEMBL7965769 0.77 CFTR (0.41) CYP11B2CYP11B1KDM4EALDH1A1KMT2A
SCHEMBL8329319 0.76 CYP11B2 (0.38) CYP11B2ADORA1CYP11B1MAOAADORA2A

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