SCHEMBL11872234

SCHEMBL11872234

C=CCn1nc(OCCCNCC(=C)O)c2ccccc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 1/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ CASP3 P42574 1/20 0.33

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
SCHEMBL16772015 0.76 CASP3 (0.42) KAT2BKMT2AMEN1RAB9AKDM4E
SCHEMBL8957218 0.66 MAPT (0.68) KMT2AMAPTTSHR
SCHEMBL3316327 0.64 KAT2B (0.52) KAT2BRAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL10485351 0.62 PKM (0.55) KAT2BKMT2AMEN1NPC1MAPK1
SCHEMBL3319604 0.62 CNR2 (0.51) KAT2BKMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL3312575 0.62 CNR2 (0.51) KAT2BKMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL765094 0.61 KAT2B (0.46) KAT2BKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL3317990 0.60 RECQL (0.55) KAT2BKMT2ARAB9ANPC1MAPK1
SCHEMBL11319689 0.59 ADRB2 (0.42) KMT2AMEN1KDM4EALDH1A1
SCHEMBL11273816 0.59 CA12 (0.34) KAT2BKMT2A

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-3957776-A HYPOTENSIVE AGENTS DELMAR CHEMICALS LIMITED (CA) 1976-05-18 — — US disclosed
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