SCHEMBL30748563

SCHEMBL30748563

N#CCc1cccnc1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.53
MPO P05164 1/20 0.40
HSD11B1 P28845 3/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
PLCG1 P19174 1/20 0.37
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LRRK2 Q5S007 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
ALOX15 P16050 1/20 0.32
ELANE P08246 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL1543531 1.00 CYP11B1 (0.53) CYP11B1MPOHSD11B1ALDH1A1HPGD
SCHEMBL3620497 0.91 CYP11B1 (0.47) CYP11B1MPOHSD11B1ALDH1A1HPGD
SCHEMBL12490223 0.81 CYP11B1 (0.50) CYP11B1MPOHSD11B1ALDH1A1PLCG1
SCHEMBL1007086 0.80 CYP11B1 (0.53) CYP11B1MPOHSD11B1ALDH1A1PLCG1
SCHEMBL6109965 0.80 CYP11B1 (0.53) CYP11B1MPOHSD11B1ALDH1A1HPGD
SCHEMBL25347053 0.80 CYP11B1 (0.53) CYP11B1MPOHSD11B1ALDH1A1PLCG1
SCHEMBL129267 0.80 CYP11B1 (0.53) CYP11B1MPOHSD11B1ALDH1A1PLCG1
SCHEMBL929481 0.80 CYP11B1 (0.53) CYP11B1MPOHSD11B1ALDH1A1HPGD
SCHEMBL1007759 0.80 CYP11B1 (0.53) CYP11B1MPOHSD11B1ALDH1A1PLCG1
Hydrochloric Acid SCHEMBL26104353 0.78 CYP11B1 (0.51) CYP11B1MPOHSD11B1ALDH1A1PLCG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023217230-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF 上海湃隆生物科技有限公司 2023-11-16 WO disclosed