SCHEMBL7953590

SCHEMBL7953590

Cc1c(C#N)c2n(c1-c1cccnc1)CSC2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.44
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 2/20 0.43
HTT P42858 1/20 0.43
DYRK1A Q13627 3/20 0.41
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP11B1 P15538 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAOA P21397 1/20 0.40
RXFP1 Q9HBX9 2/20 0.39
ADORA1 P30542 3/20 0.38
ADORA2A P29274 3/20 0.38
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP17A1 P05093 1/20 0.36
ADORA2B P29275 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
SCHEMBL7946510 0.86 CYP11B2 (0.42) CYP11B2KDM4EHSD17B10HTTDYRK1A
SCHEMBL7951763 0.78 MEN1 (0.48) CYP11B2KDM4EHTTALDH1A1MAPT
SCHEMBL7957240 0.78 MKNK1 (0.39) CYP11B2KDM4EHSD17B10HTTDYRK1A
SCHEMBL7590017 0.78 CYP11B2 (0.44) CYP11B2KDM4EHSD17B10HTTDYRK1A
SCHEMBL10743662 0.77 LMNA (0.42) CYP11B2
SCHEMBL7954873 0.73 CYP11B2 (0.39) CYP11B2KDM4ECYP11B1ALDH1A1HPGD
SCHEMBL7946460 0.73 CYP11B2 (0.41) CYP11B2KDM4ECYP11B1ALDH1A1MAOA
SCHEMBL7961492 0.72 CYP11B2 (0.43) CYP11B2KDM4EHSD17B10HTTDYRK1A
SCHEMBL7946516 0.71 NPC1 (0.36) CYP11B2HSD17B10HTTTSHRALDH1A1
SCHEMBL8568843 0.70 CYP11B2 (0.42) CYP11B2KDM4EHSD17B10HTTDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 US disclosed
US-4684658-A Anti-thrombotic ortho-condensed pyrrole derivatives, compositions, and method of use therefor RHONE-POULENC SANTE (FR) 1987-08-04 US disclosed