SCHEMBL30487407

SCHEMBL30487407

Cc1cc(Br)cc(F)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.39
GRIN2D O15399 4/20 0.38
GRIN3B O60391 4/20 0.38
GRIN1 Q05586 4/20 0.38
GRIN2A Q12879 4/20 0.38
GRIN2B Q13224 4/20 0.38
GRIN2C Q14957 4/20 0.38
GRIN3A Q8TCU5 4/20 0.38
TSHR P16473 4/20 0.36
CYP3A4 P08684 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
ATM Q13315 1/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL9000071 1.00 TDP1 (0.41) TDP1ALDH1A1CYP1A2GRIN2DGRIN3B
SCHEMBL1358844 0.86 TDP1 (0.39) TDP1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL540061 0.86 ALDH1A1 (0.54) TDP1ALDH1A1CYP1A2GRIN2DGRIN3B
SCHEMBL9000072 0.81 ALDH1A1 (0.48) TDP1ALDH1A1CYP1A2GRIN2DGRIN3B
SCHEMBL14246396 0.80 MAPT (0.40) TDP1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL20241509 0.80 TDP1 (0.44) TDP1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL646888 0.80 TSHR (0.45) TDP1ALDH1A1CYP1A2GRIN2DGRIN3B
SCHEMBL1192809 0.78 GRIN2D (0.39) TDP1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL26339899 0.78 GRIN2D (0.41) TDP1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL26382468 0.78 ALDH1A1 (0.38) TDP1ALDH1A1GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119948023-A Regulator containing piperidine polycyclic derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-05-06 CN disclosed
CN-118451079-A Benzopiperidine derivative modulators, methods of preparation and uses thereof 上海翰森生物医药科技有限公司 2024-08-06 CN disclosed
WO-2023125935-A1 BENZOPYRIDINE DERIVATIVE REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2023-07-06 WO disclosed