SCHEMBL31419288

SCHEMBL31419288

CN(N=C(c1ccccc1)c1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ NR1H3 Q13133 3/20 0.42
▸ NR1H2 P55055 2/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRL1 P41146 1/20 0.41
▸ KIF11 P52732 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TRPV6 Q9H1D0 1/20 0.39
▸ GRIN2B Q13224 1/20 0.38
▸ LTC4S Q16873 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ NQO2 P16083 1/20 0.36
▸ PTGS1 P23219 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
SCHEMBL11699938 0.82 ALDH1A1 (0.50) ALDH1A1HPGDGFERNPC1RAB9A
SCHEMBL3820980 0.78 ALDH1A1 (0.47) ALDH1A1HPGDGFERNPC1RAB9A
SCHEMBL24149569 0.73 MLYCD (0.43) NR1H3NR1H2NPC1RAB9AMEN1
SCHEMBL29495959 0.72 ALDH1A1 (0.45) ALDH1A1HPGDGFERNPC1RAB9A
SCHEMBL29495956 0.72 ALDH1A1 (0.45) ALDH1A1HPGDGFERNPC1RAB9A
SCHEMBL30522605 0.72 NR1H3 (0.75) NR1H3NR1H2NPC1RAB9AMEN1
SCHEMBL28735779 0.72 ALDH1A1 (0.52) ALDH1A1HPGDGFERNPC1RAB9A
SCHEMBL13706370 0.71 ALDH1A1 (0.54) ALDH1A1NR1H3NR1H2TSHROPRM1
SCHEMBL29220712 0.70 HTR3E (0.55) ALDH1A1NPC1RAB9ATSHRKIF11
SCHEMBL8494070 0.70 GRIN2B (0.54) ALDH1A1NPC1RAB9ATSHRKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4745134-A1 PROTEIN ARGINASE METHYLTRANSFERASE-5 INHIBITOR AND MEDICAL USE THEREOF Jiangsu Yahong Meditech Co., Ltd. (CN) 2026-05-20 — — EP disclosed
WO-2025016323-A1 PROTEIN ARGINASE METHYLTRANSFERASE-5 INHIBITOR AND MEDICAL USE THEREOF 江苏亚虹医药科技股份有限公司 2025-01-23 — — WO disclosed
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