SCHEMBL9153829

SCHEMBL9153829

O=C(CN(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1)NCC1CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ TSHR P16473 1/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL9152837 0.83 POLB (0.57) OPRD1ALDH1A1TSHRKMT2AMEN1
SCHEMBL9157740 0.81 KMT2A (0.66) ALDH1A1KMT2AMEN1CA12CA9
SCHEMBL9152710 0.80 PTGIR (0.43) ALDH1A1KMT2AMEN1HPGDMAPK1
SCHEMBL8860030 0.80 CA12 (0.60) OPRD1ALDH1A1KMT2AMEN1CA12
SCHEMBL9154021 0.79 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1CA12CA9
SCHEMBL9159771 0.77 CA12 (0.57) OPRD1ALDH1A1KMT2AMEN1CA12
SCHEMBL9157966 0.77 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1RAB9AKDM4E
SCHEMBL9158437 0.76 HPGD (0.53) ALDH1A1TSHRKMT2AMEN1MAPT
SCHEMBL9153787 0.76 KMT2A (0.55) ALDH1A1KMT2AMEN1RAB9APOLB
SCHEMBL9158495 0.76 ALDH1A1 (0.42) OPRD1ALDH1A1KMT2AMEN1CA12

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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