SCHEMBL10524643

SCHEMBL10524643

O=C1Nc2ccccc2/C(=C/C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
MAPK1 P28482 2/20 0.44
GAA P10253 1/20 0.44
CYP2C19 P33261 1/20 0.44
KIT P10721 2/20 0.44
AURKB Q96GD4 2/20 0.44
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
P2RY12 Q9H244 1/20 0.41
PARP1 P09874 3/20 0.41
PARP2 Q9UGN5 2/20 0.41
TGM2 P21980 2/20 0.41
LMNA P02545 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
SCHEMBL10518490 0.85 SMN1; SMN2 (0.47) NPSR1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL10518957 0.80 KIT (0.48) NPSR1SMN1; SMN2RAB9AMAPK1KIT
Darenzepine SCHEMBL996265 0.79 MEN1 (0.52) NPSR1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL379160 0.74 MEN1 (0.76) NPSR1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL7393652 0.74 MEN1 (0.76) NPSR1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL4814264 0.74 MEN1 (0.76) NPSR1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL3970912 0.74 MEN1 (0.76) NPSR1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL15011579 0.73 MEN1 (0.73) NPSR1MEN1KMT2ASMN1; SMN2RAB9A
Bicarbonate SCHEMBL4357688 0.73 MEN1 (0.73) NPSR1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL5357397 0.72 SMN1; SMN2 (0.44) NPSR1MEN1KMT2ASMN1; SMN2RAB9A

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
EP-0309422-A2 New amidino tricycle derivatives ISTITUTO DE ANGELI S.p.A. (IT) 1989-03-29 EP disclosed