SCHEMBL31010016

SCHEMBL31010016

[2H]c1ccn(Cc2cccc(F)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CYP11B1 P15538 1/20 0.49
▸ CYP11B2 P19099 1/20 0.49
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ DBH P09172 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HTT P42858 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM5 P08912 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ GRM2 Q14416 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ MIF P14174 1/20 0.39

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
SCHEMBL30046619 0.83 HTT (0.59) L3MBTL1CYP11B1CYP11B2NPC1RAB9A
SCHEMBL1459408 0.83 HTT (0.59) L3MBTL1CYP11B1CYP11B2NPC1RAB9A
Hydrochloric Acid SCHEMBL38664401 0.82 HTT (0.57) L3MBTL1CYP11B1CYP11B2NPC1RAB9A
SCHEMBL28206666 0.72 CYP19A1 (0.65) L3MBTL1CYP11B1CYP11B2SMN1; SMN2ALDH1A1
SCHEMBL29788851 0.72 L3MBTL1 (0.53) L3MBTL1CYP11B1CYP11B2NPC1RAB9A
SCHEMBL1456414 0.72 L3MBTL1 (0.53) L3MBTL1CYP11B1CYP11B2NPC1RAB9A
SCHEMBL29820311 0.72 CYP19A1 (0.64) L3MBTL1CYP11B1CYP11B2NPC1RAB9A
SCHEMBL25583879 0.72 SCD (0.53) L3MBTL1MEN1KMT2ASCDSCD5
SCHEMBL2269162 0.71 L3MBTL1 (1.00) L3MBTL1CYP11B1CYP11B2NPC1RAB9A
SCHEMBL27895616 0.71 L3MBTL1 (0.55) L3MBTL1CYP11B1CYP11B2NPC1RAB9A

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-4646410-A1 TUBULIN POLYMERIZATION INHIBITORS AB Science (FR) 2025-11-12 — — EP disclosed
WO-2024146923-A1 TUBULIN POLYMERIZATION INHIBITORS AB SCIENCE (FR) 2024-07-11 — — WO disclosed
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