SCHEMBL7357340

SCHEMBL7357340

O=C(Nc1cnccn1)c1cccc2c1ncn2CCCCCl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.45
NOD1 Q9Y239 3/20 0.45
MITF O75030 2/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 4/20 0.44
XBP1 P17861 3/20 0.44
TNF P01375 2/20 0.44
NOD2 Q9HC29 2/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
NPC1 O15118 2/20 0.44
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
PKM P14618 1/20 0.43
HSD17B10 Q99714 2/20 0.42
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL7356630 0.85 CHRNB2 (0.46) LMNARAB9ANPC1
SCHEMBL7358428 0.84 EGLN1 (0.40) SMN1; SMN2LMNARAB9AHTTALDH1A1
SCHEMBL7355082 0.81 EGLN1 (0.45) SMN1; SMN2LMNARAB9AHTTALDH1A1
SCHEMBL7358512 0.81 TRPV4 (0.45) SMN1; SMN2NOD1MITFLMNARAB9A
SCHEMBL7354930 0.79 NPC1 (0.52) SMN1; SMN2LMNARAB9AALDH1A1NPSR1
SCHEMBL7355990 0.77 EGLN3 (0.40) SMN1; SMN2LMNAHTTALDH1A1KDM4E
SCHEMBL7360967 0.76 TSHR (0.46) SMN1; SMN2LMNARAB9AALDH1A1NPSR1
Hydrochloric Acid SCHEMBL7357414 0.76 PRPS1 (0.38) SMN1; SMN2LMNAHTTALDH1A1KMT2A
SCHEMBL7356668 0.76 ALDH1A1 (0.48) SMN1; SMN2LMNARAB9AHTTALDH1A1
SCHEMBL7353986 0.73 KDM4E (0.36) SMN1; SMN2LMNAHTTALDH1A1KDM4E

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