SCHEMBL9159221

SCHEMBL9159221

COc1ccc(NC(=O)CN(C(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ RPS6KA2 Q15349 2/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ AKR1B1 P15121 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL9157966 0.89 ALDH1A1 (0.58) MEN1KMT2ARPS6KA2NPC1ALDH1A1
SCHEMBL9157740 0.89 KMT2A (0.66) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL9153787 0.86 KMT2A (0.55) MEN1KMT2ANPC1ALDH1A1AKR1B1
SCHEMBL9133596 0.84 ALDH1A1 (0.59) MEN1KMT2ARPS6KA2NPC1ALDH1A1
SCHEMBL9159392 0.83 ALDH1A1 (0.55) MEN1KMT2ARPS6KA2NPC1ALDH1A1
SCHEMBL9152136 0.81 BCHE (0.54) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9158437 0.79 HPGD (0.53) MEN1KMT2AALDH1A1MAPT
SCHEMBL9153770 0.78 SMN1; SMN2 (0.51) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL9471237 0.78 NPC1 (0.61) MEN1KMT2ARPS6KA2NPC1ALDH1A1
SCHEMBL9154021 0.78 ALDH1A1 (0.55) MEN1KMT2ANPC1ALDH1A1MAPT

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
Send feedback