SCHEMBL11257947

SCHEMBL11257947

Cc1c(Br)cccc1NC(=N)NC(=O)NC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ RAB9A P51151 5/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ POLB P06746 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HTT P42858 3/20 0.36
▸ PDK1 Q15118 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ PDK3 Q15120 1/20 0.36
▸ PDK4 Q16654 1/20 0.36
▸ PDGFRB P09619 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ LMNA P02545 4/20 0.35
▸ TSHR P16473 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL11054808 0.88 MEN1 (0.43) MAPK1MEN1KMT2ARAB9ANPC1
SCHEMBL11051039 0.87 HTT (0.49) MAPK1MEN1KMT2ARAB9ANPC1
SCHEMBL11050083 0.85 MAPK1 (0.55) MAPK1MEN1KMT2ARAB9ANPC1
SCHEMBL11260410 0.85 SMN1; SMN2 (0.48) MAPK1MEN1KMT2ARAB9ANPC1
SCHEMBL11265410 0.84 KMT2A (0.56) MAPK1MEN1KMT2ARAB9APOLB
SCHEMBL11054793 0.83 NPC1 (0.44) MAPK1MEN1KMT2ARAB9ANPC1
SCHEMBL11578638 0.81 KMT2A (0.40) MAPK1MEN1KMT2ARAB9ANPC1
SCHEMBL11259425 0.80 POLB (0.43) MAPK1MEN1KMT2ARAB9ANPC1
SCHEMBL11052110 0.80 MEN1 (0.55) MAPK1MEN1KMT2ARAB9ANPC1
SCHEMBL11250182 0.78 NPC1 (0.40) MAPK1MEN1KMT2ARAB9ANPC1

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
US-4326074-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 — — US disclosed
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