SCHEMBL9152837

SCHEMBL9152837

O=C(CN(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1)NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ HDAC1 Q13547 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ ATM Q13315 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ OPRD1 P41143 1/20 0.45
▸ RECQL P46063 1/20 0.44

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
SCHEMBL9153829 0.83 OPRD1 (0.46) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL9157740 0.82 KMT2A (0.66) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL8860030 0.82 CA12 (0.60) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL1414102 0.81 SMN1; SMN2 (0.78) POLBSMN1; SMN2ATMMEN1KMT2A
SCHEMBL9154021 0.81 ALDH1A1 (0.55) POLBSMN1; SMN2HDAC1HDAC6MEN1
SCHEMBL9471902 0.80 NPC1 (0.63) POLBSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL9159771 0.79 CA12 (0.57) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL9157966 0.79 ALDH1A1 (0.58) POLBSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL9153787 0.78 KMT2A (0.55) POLBSMN1; SMN2ATMMEN1KMT2A
SCHEMBL9158437 0.78 HPGD (0.53) POLBMEN1KMT2ATSHRALDH1A1

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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