SCHEMBL31069233

SCHEMBL31069233

COc1cccc(-c2c(C(=O)O)nc3n2CCCC3)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.40
DHODH Q02127 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TGFBR1 P36897 1/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
TACR3 P29371 1/20 0.38
RORC P51449 1/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 2/20 0.36
AVPR1B P47901 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
MTHFD2 P13995 1/20 0.36
THRB P10828 2/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL23645315 1.00 NR4A2 (0.40) NR4A2DHODHMEN1KMT2AHDAC6
SCHEMBL21810872 0.86 MAPT (0.43) MEN1KMT2ATGFBR1RAB9AMAPT
SCHEMBL28635156 0.82 POLB (0.44) MEN1KMT2AHDAC6RAB9ARORC
SCHEMBL31069264 0.78 TGFBR1 (0.49) MEN1KMT2AHDAC6TGFBR1RAB9A
SCHEMBL23645366 0.78 TGFBR1 (0.49) MEN1KMT2AHDAC6TGFBR1RAB9A
SCHEMBL29724054 0.74 TGFBR1 (0.53) MEN1KMT2AHDAC6TGFBR1RAB9A
SCHEMBL23645385 0.73 MAPT (0.42) MAPTTP53POLBLMNA
SCHEMBL23645382 0.73 MAPT (0.42) MAPTTP53POLBLMNA
SCHEMBL31069238 0.73 MAPT (0.42) MAPTTP53POLBLMNA
SCHEMBL23645328 0.71 MAPT (0.44) MEN1KMT2ARAB9AMAPTTP53

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
CN-112689636-B Novel heteroatom aromatic amide derivative and pharmaceutical agent containing same 科研制药株式会社 2024-08-20 CN disclosed