SCHEMBL31337210

SCHEMBL31337210

O=C(Nc1cccc(Cl)c1)c1ccc(Br)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.64
▸ ESRRG P62508 3/20 0.64
▸ ESR2 Q92731 2/20 0.64
▸ USP2 O75604 1/20 0.56
▸ MEN1 O00255 5/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ NPC1 O15118 4/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ NFKB1 P19838 3/20 0.56
▸ NFKB2 Q00653 3/20 0.56
▸ RELA Q04206 3/20 0.56
▸ POLB P06746 1/20 0.56
▸ CASP3 P42574 1/20 0.56
▸ SENP8 Q96LD8 1/20 0.56
▸ SENP7 Q9BQF6 1/20 0.56
▸ SENP6 Q9GZR1 1/20 0.56
▸ MAPT P10636 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ ALOX15 P16050 1/20 0.54

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
SCHEMBL27181592 0.87 MEN1 (0.53) ESR1ESRRGESR2MEN1KMT2A
SCHEMBL6680992 0.82 MAPT (0.67) ESR1ESRRGESR2USP2MEN1
SCHEMBL4022371 0.81 LMNA (0.59) ESR1ESRRGUSP2MEN1KMT2A
SCHEMBL1199911 0.81 NPC1 (0.63) ESR1ESRRGUSP2MEN1KMT2A
SCHEMBL24671088 0.79 MAPT (0.63) USP2MEN1KMT2ANPC1RAB9A
SCHEMBL29803602 0.79 MAPT (0.63) USP2MEN1KMT2ANPC1RAB9A
SCHEMBL13202371 0.79 MAPT (0.59) USP2MEN1KMT2ANPC1RAB9A
SCHEMBL12496728 0.79 RAB9A (0.67) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2529744 0.79 LMNA (0.69) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL31337285 0.78 ESRRG (1.00) ESR1ESRRGESR2NPC1RAB9A

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-2025022031-A1 NEW DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2025-01-30 — — WO disclosed
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