SCHEMBL9154021

SCHEMBL9154021

CC(C)(C)NC(=O)CN(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.55
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ RECQL P46063 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ PKM P14618 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
SCHEMBL9157740 0.82 KMT2A (0.66) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL8860030 0.82 CA12 (0.60) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL9157966 0.81 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL9152837 0.81 POLB (0.57) ALDH1A1HDAC1HDAC6KMT2AMEN1
SCHEMBL8860026 0.81 MEN1 (0.51) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL9158437 0.80 HPGD (0.53) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL8860020 0.80 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL9158223 0.80 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL9158815 0.80 MEN1 (0.50) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL9159771 0.79 CA12 (0.57) ALDH1A1KMT2AMEN1RAB9ANPC1

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-5382590-A Gastrointestinal disorders and nervous system disorders RHONE-POULENC RORER S.A. (FR) 1995-01-17 — — US disclosed
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