SCHEMBL31582950

SCHEMBL31582950

CC(C)(C)n1ncc2cccc(Br)c21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PLA2G1B P04054 1/20 0.37
▸ ATG4B Q9Y4P1 1/20 0.37
▸ NOS1 P29475 1/20 0.34
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ ADRA2A P08913 1/20 0.30

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
SCHEMBL26596976 0.79 CYP3A4 (0.34) CYP11B1CYP11B2MAPK1LMNASMN1; SMN2
SCHEMBL2383365 0.76 NOS1 (0.37) NOS1LMNASMN1; SMN2MEN1NPC1
SCHEMBL28268432 0.72 PARP1 (0.46) —
SCHEMBL29122301 0.72 BACE1 (0.37) NOS1LMNASMN1; SMN2MEN1NPC1
SCHEMBL31130304 0.71 GRM2 (0.44) NOS1MAPK1MEN1NPC1KMT2A
SCHEMBL4083412 0.71 NOS1 (0.34) NOS1MAPK1LMNASMN1; SMN2MEN1
SCHEMBL10050859 0.69 RECQL (0.43) CYP11B1CYP11B2LMNASMN1; SMN2MEN1
SCHEMBL30449976 0.69 RECQL (0.43) CYP11B1CYP11B2LMNASMN1; SMN2MEN1
SCHEMBL25287629 0.69 ELANE (0.41) CYP11B2MEN1NPC1RAB9AKMT2A
SCHEMBL31582626 0.68 MAPK1 (0.37) MAPK1SMN1; SMN2NPC1RAB9A

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
WO-2025106644-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ALPHA-V BETA-1 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2025-05-22 — — WO disclosed
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