SCHEMBL9650871

SCHEMBL9650871

O=C1C=C(Nc2ccc(Br)cc2)C(=O)C=C1Nc1ccc(Br)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.63
▸ CDK4 P11802 1/20 0.50
▸ MAPT P10636 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ HTT P42858 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ CASP3 P42574 3/20 0.41
▸ BLM P54132 3/20 0.41
▸ SENP8 Q96LD8 3/20 0.41
▸ SENP7 Q9BQF6 3/20 0.41
▸ SENP6 Q9GZR1 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41

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
SCHEMBL30991485 0.78 MAPT (0.75) CDK4MAPTLMNAHTTRAB9A
SCHEMBL19409876 0.77 DNM1 (0.63) DNM1CDK4MAPTLMNAHTT
SCHEMBL636416 0.77 DNM1 (1.00) DNM1CDK4MAPTLMNAHTT
SCHEMBL755665 0.76 MAPT (0.64) DNM1CDK4MAPTLMNAHTT
SCHEMBL409605 0.74 CYP2A6 (0.57) MAPTLMNAHTTRAB9ASMN1; SMN2
SCHEMBL16526973 0.74 CYP2A6 (0.57) MAPTLMNAHTTRAB9ASMN1; SMN2
SCHEMBL13148721 0.74 CYP2A6 (0.57) MAPTLMNAHTTRAB9ASMN1; SMN2
SCHEMBL23831113 0.72 DNM1 (0.62) DNM1MAPTLMNAHTTRAB9A
SCHEMBL19409875 0.72 MAPT (0.61) DNM1CDK4MAPTLMNAHTT
SCHEMBL11390354 0.71 DNM1 (0.55) DNM1MAPTLMNAHTTRAB9A

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
US-5122160-A Denim; vat dyes; redox system MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-06-16 — — US disclosed
EP-0431906-A2 Cotton rope-dyeing methods MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-06-12 — — EP disclosed
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