SCHEMBL28597254

SCHEMBL28597254

O=C(Oc1ccc(C(F)(F)F)nc1Nc1ccc2[nH]ncc2c1)C1(O)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 8/20 0.43
▸ ULK1 O75385 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ROCK1 Q13464 3/20 0.40
▸ MKNK1 Q9BUB5 2/20 0.40
▸ RET P07949 1/20 0.39
▸ HSF1 Q00613 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL18188230 0.82 NPC1 (0.43) ROCK2ULK1POLBMEN1KMT2A
SCHEMBL18188436 0.74 MKNK1 (0.53) ROCK2ULK1MEN1KMT2AROCK1
SCHEMBL29542975 0.74 MKNK1 (0.53) ROCK2ULK1MEN1KMT2AROCK1
SCHEMBL30272857 0.73 SYK (0.46) ROCK2ULK1ROCK1MKNK1HSF1
SCHEMBL18188218 0.71 ROCK2 (0.46) ROCK2POLBMEN1KMT2AROCK1
SCHEMBL18188414 0.71 NPC1 (0.52) ROCK2MEN1KMT2AROCK1NPC1
SCHEMBL30272874 0.69 SYK (0.47) ROCK2ULK1ROCK1MKNK1RET
SCHEMBL16834423 0.65 NPC1 (0.60) ROCK2ROCK1NPC1RAB9A
SCHEMBL5409293 0.64 ROCK2 (0.67) ROCK2POLBMEN1KMT2AROCK1
SCHEMBL18196422 0.63 MKNK1 (0.53) ROCK2MEN1KMT2AROCK1MKNK1

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-107835814-B Azabenzimidazoles and their use as AMPA receptor modulators 詹森药业有限公司 2021-07-23 — — CN disclosed
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