SCHEMBL29620951

SCHEMBL29620951

Clc1ccc(-n2cc(Br)cn2)nc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 8/20 0.47
NPC1 O15118 1/20 0.44
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PRKCI P41743 1/20 0.38
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 2/20 0.36
CNR2 P34972 1/20 0.36
GAA P10253 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
MAPK1 P28482 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
SCHEMBL22925971 1.00 EGLN1 (0.47) EGLN1NPC1HPGDALDH1A1CYP1A2
SCHEMBL28987739 0.79 PRKCI (0.38) EGLN1HPGDALDH1A1PRKCITSHR
SCHEMBL17395108 0.76 PRKCI (0.36) EGLN1ALDH1A1PRKCITSHRHSD17B10
SCHEMBL30337710 0.76 PRKCI (0.36) EGLN1ALDH1A1PRKCITSHRHSD17B10
SCHEMBL182108 0.76 MEN1 (0.47) NPC1ALDH1A1KMT2A
SCHEMBL29620876 0.75 HDAC4 (0.49) EGLN1HPGDALDH1A1CYP1A2CYP2C9
SCHEMBL22925831 0.75 HDAC4 (0.49) EGLN1HPGDALDH1A1CYP1A2CYP2C9
SCHEMBL17394965 0.75 KDM4E (0.49) EGLN1ALDH1A1PRKCI
SCHEMBL19797763 0.75 EGLN1 (0.39) EGLN1HPGDCYP1A2PRKCITSHR
SCHEMBL15578748 0.73 EGLN1 (0.81) EGLN1

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
CN-114450281-B Inhibitor compounds 辛塞拉治疗私人有限公司 2024-08-16 CN disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 CN disclosed