SCHEMBL28246574

SCHEMBL28246574

NCc1ccc(-c2nc(NC(=O)Nc3ccccc3)c(C(=O)O)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MAPT P10636 4/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CDK5 Q00535 1/20 0.42
▸ CDK5R1 Q15078 1/20 0.42
▸ GAA P10253 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ ABL1 P00519 1/20 0.40
▸ XDH P47989 1/20 0.40

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
SCHEMBL28246584 0.86 TRPM8 (0.60) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL27996874 0.83 KDM4E (0.46) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL27997095 0.78 GAA (0.43) RAB9ANPC1SMN1; SMN2MAPTNPSR1
SCHEMBL5551093 0.76 SMN1; SMN2 (0.58) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL545945 0.76 SMN1; SMN2 (0.65) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL15049266 0.75 TRPM8 (0.64) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL28246573 0.75 ALDH1A1 (0.53) NPC1SMN1; SMN2MAPTKMT2AGAA
SCHEMBL28245733 0.75 GAA (0.46) RAB9ANPC1SMN1; SMN2MAPTNPSR1
SCHEMBL27996876 0.74 CDC7 (0.63) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL27738235 0.72 RAB9A (0.72) RAB9ANPC1SMN1; SMN2MAPTKMT2A

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-104220069-B Trpm8 antagonists 多姆皮制药公司 2018-10-02 — — CN claimed
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