SCHEMBL7955035

SCHEMBL7955035

CCc1c(C#N)c2n(c1-c1cccnc1)CCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 1/20 0.43
CYP11B2 P19099 2/20 0.42
ALDH1A1 P00352 6/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 3/20 0.40
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
DYRK1A Q13627 2/20 0.40
KDM5A P29375 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CYP11B1 P15538 1/20 0.38
MAOA P21397 1/20 0.38
PTGS2 P35354 3/20 0.38
RECQL P46063 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8647218 0.88 ABCC1 (0.42) ABCC1CYP11B2ALDH1A1TSHRHSD17B10
SCHEMBL7954913 0.85 ABCC1 (0.41) ABCC1CYP11B2ALDH1A1TSHRHSD17B10
SCHEMBL7587234 0.85 ABCC1 (0.44) ABCC1CYP11B2ALDH1A1TSHRHSD17B10
SCHEMBL7590017 0.84 CYP11B2 (0.44) ABCC1CYP11B2ALDH1A1TSHRHSD17B10
SCHEMBL7954850 0.83 ABCC1 (0.43) ABCC1CYP11B2ALDH1A1TSHRHSD17B10
SCHEMBL2158205 0.82 KDM4E (0.45) ABCC1CYP11B2ALDH1A1TSHRHSD17B10
SCHEMBL7953813 0.82 ABCC1 (0.43) ABCC1CYP11B2ALDH1A1TSHRHSD17B10
SCHEMBL7953497 0.81 CYP11B2 (0.42) ABCC1CYP11B2ALDH1A1TSHRHSD17B10
SCHEMBL7953612 0.81 ABCC1 (0.41) ABCC1CYP11B2ALDH1A1TSHRHSD17B10
SCHEMBL7946473 0.79 ABCC1 (0.43) ABCC1CYP11B2ALDH1A1TSHRHSD17B10

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 claimed
US-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 US disclosed