SCHEMBL31479973

SCHEMBL31479973

O=[N+]([O-])c1ccc2c(cnn2C2CC2)c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
PDE1A P54750 3/20 0.33
PDE1B Q01064 3/20 0.33
PDE1C Q14123 3/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
CYP19A1 P11511 1/20 0.33
PDE9A O76083 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CREBBP Q92793 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
MITF O75030 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL29176019 0.83 TDP1 (0.39) ALDH1A1PDE1APDE1BPDE1CHTT
SCHEMBL14909505 0.80 TDP1 (0.44) ALDH1A1PDE9AMEN1KMT2AHTT
SCHEMBL30448079 0.77 MAPT (0.38) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL21273360 0.77 MAPT (0.38) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL29176051 0.75 MAPT (0.34) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL16898982 0.75 MAPT (0.38) MAPTALDH1A1CYP19A1GPR119MAPK1
SCHEMBL25269473 0.75 SCD (0.37) PDE1APDE1BPDE1CPDE9A
SCHEMBL25428025 0.73 CREBBP (0.35) MAPTALDH1A1PDE1APDE1BPDE1C
SCHEMBL31339761 0.73 HTT (0.40) MAPTALDH1A1CYP19A1HTTCYP1A2
SCHEMBL23389349 0.70 GRM1 (0.42) ALDH1A1PDE1APDE1BPDE1CMCOLN3

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-2025082460-A1 DIACYLGLYCEROL KINASE INHIBITOR COMPOUND AND USE THEREOF 上海先祥医药科技有限公司 2025-04-24 WO disclosed