SCHEMBL29803602

SCHEMBL29803602

O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(Br)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.63
▸ KMT2A Q03164 14/20 0.59
▸ MEN1 O00255 13/20 0.59
▸ NPC1 O15118 7/20 0.59
▸ SMN1; SMN2 Q16637 6/20 0.59
▸ RAB9A P51151 6/20 0.59
▸ NFKB1 P19838 3/20 0.59
▸ NFKB2 Q00653 3/20 0.59
▸ RELA Q04206 3/20 0.59
▸ CASP3 P42574 3/20 0.59
▸ SENP7 Q9BQF6 3/20 0.59
▸ SENP8 Q96LD8 2/20 0.59
▸ SENP6 Q9GZR1 2/20 0.59
▸ POLB P06746 1/20 0.59
▸ ALOX15 P16050 3/20 0.58
▸ TP53 P04637 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ AR P10275 1/20 0.55
▸ HPGD P15428 3/20 0.53
▸ ALOX12 P18054 2/20 0.53

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
SCHEMBL24671088 1.00 MAPT (0.63) MAPTKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL29803551 0.82 KMT2A (0.59) MAPTKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL24670571 0.82 KMT2A (0.59) MAPTKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL4022371 0.81 LMNA (0.59) MAPTKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL12443478 0.81 KMT2A (0.72) MAPTKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL31337210 0.79 ESR1 (0.64) MAPTKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL24670582 0.79 KMT2A (0.57) MAPTKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL29803339 0.79 KMT2A (0.57) MAPTKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL24669279 0.78 KMT2A (0.61) MAPTKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL24671107 0.76 MAPT (0.90) MAPTKMT2AMEN1NPC1SMN1; SMN2

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-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 — — WO disclosed
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