SCHEMBL9865366

SCHEMBL9865366

CC1(C)C(=O)Nc2cc(NC(=O)Nc3ccc(C#N)cc3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 3/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
NLRP3 Q96P20 1/20 0.49
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
IL18 Q14116 1/20 0.48
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45

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
SCHEMBL9840448 0.85 CYP26A1 (0.48) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL9313814 0.84 MAOA (0.45) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL10585350 0.83 MAOB (0.54) MAPTALDH1A1KDM4ECA12CA1
SCHEMBL9314257 0.82 MAPT (0.49) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL9312451 0.82 RARB (0.52) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL9314316 0.80 HSPA9 (0.56) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL6072306 0.79 PGR (0.58) PGR
SCHEMBL9834136 0.78 NQO2 (0.51) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL9313195 0.78 MAPK14 (0.47) MEN1KMT2AKDRPGRSMN1; SMN2
SCHEMBL9375907 0.78 PGR (0.50) MAPTMEN1KMT2AALDH1A1LMNA

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-4985448-A Ureidoindoles, pharmaceutical compositions and methods for erythrocyte and thrombocyte aggregation inhibition BOEHRINGER MANNHEIM GMBH (DE) 1991-01-15 US claimed