SCHEMBL7358971

SCHEMBL7358971

CC(=O)Nc1cccc2c1ncn2CCCCCl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.46
POLB P06746 1/20 0.39
MTTP P55157 2/20 0.39
PRPS1 P60891 1/20 0.38
LCK P06239 1/20 0.38
ADORA2B P29275 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
CTSL P07711 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
YTHDC1 Q96MU7 2/20 0.37
SYK P43405 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL7356883 0.88 NR1H4 (0.47) NR1H4POLBMTTPKMT2AYTHDC1
SCHEMBL27249689 0.78 ALDH1A1 (0.49) NR1H4LCKMEN1KMT2ASYK
SCHEMBL7355990 0.76 EGLN3 (0.40) NR1H4PRPS1SMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7357414 0.75 PRPS1 (0.38) NR1H4MTTPPRPS1ADORA2BSMN1; SMN2
SCHEMBL7353986 0.75 KDM4E (0.36) NR1H4PRPS1ADORA2BSMN1; SMN2KDM4E
SCHEMBL7358428 0.75 EGLN1 (0.40) NR1H4MTTPPRPS1SMN1; SMN2KDM4E
SCHEMBL7355082 0.75 EGLN1 (0.45) POLBMTTPSMN1; SMN2MEN1KMT2A
SCHEMBL7360967 0.74 TSHR (0.46) MTTPSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL7360918 0.73 CNR1 (0.43) POLBSMN1; SMN2MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL7362546 0.73 TLR8 (0.41) PRPS1ADORA2BSMN1; SMN2MEN1KMT2A

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
WO-1995003298-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS DOPAMINE RECEPTOR ANTAGONIST, 5-HT RECEPTOR AGONIST OR α1 RECEPTOR ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-02 WO disclosed