SCHEMBL30367634

SCHEMBL30367634

Nc1nccc2c(Br)nc(-c3ccc([N+](=O)[O-])cc3)n12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 3/20 0.40
RXFP1 Q9HBX9 2/20 0.40
PKM P14618 1/20 0.40
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
ROCK1 Q13464 1/20 0.39
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NLRP3 Q96P20 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
CDC7 O00311 1/20 0.37
MGAM O43451 1/20 0.36

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
SCHEMBL30367576 0.75 ROCK1 (0.62) MAPTLMNARAB9AALDH1A1RXFP1
SCHEMBL30289663 0.74 TNK2 (0.44) RAB9AROCK1NPC1
SCHEMBL30499529 0.74 KMT2A (0.43) MAPTLMNARAB9AALDH1A1PIK3CA
SCHEMBL30289660 0.73 SCN9A (0.40) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL30499520 0.69 MAPT (0.44) MAPTLMNAALDH1A1PKMROCK1
SCHEMBL30289747 0.69 TNK2 (0.41) ALDH1A1ROCK1SMN1; SMN2MEN1KMT2A
SCHEMBL30289605 0.69 TNK2 (0.41) MAPTALDH1A1KDM4E
SCHEMBL4526945 0.64 ROCK1 (0.57) MAPTLMNARAB9AALDH1A1PIK3CA
SCHEMBL27636023 0.62 MAPT (0.61) MAPTLMNARAB9AALDH1A1SMN1; SMN2
SCHEMBL5390679 0.61 MAPT (0.47) MAPTLMNAALDH1A1ROCK1HTT

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-2023051464-A1 PYRAZOLOPYRIDINE COMPOUNDS AS TAM INHIBITORS SHANGHAI ANTENGENE CORPORATION LIMITED (CN) 2023-04-06 WO disclosed