SCHEMBL7360967

SCHEMBL7360967

O=C(Nc1nncs1)c1cccc2c1ncn2CCCCCl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 4/20 0.44
HPGD P15428 3/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
AQP4 P55087 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MTTP P55157 1/20 0.37
LMNA P02545 1/20 0.36
TAAR1 Q96RJ0 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
SCHEMBL7354930 0.84 NPC1 (0.52) ALDH1A1HSD17B10HPGDMAPK1L3MBTL1
SCHEMBL7358547 0.81 TSHR (0.39) TSHRALDH1A1HSD17B10HPGDMAPK1
SCHEMBL7358428 0.81 EGLN1 (0.40) ALDH1A1KDM4ESMN1; SMN2NPSR1TP53
SCHEMBL7355082 0.81 EGLN1 (0.45) ALDH1A1HSD17B10HPGDMAPTKDM4E
SCHEMBL7356668 0.77 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDL3MBTL1MAPT
SCHEMBL7356630 0.76 CHRNB2 (0.46) NPC1RAB9AMTTPLMNA
SCHEMBL7357340 0.76 SMN1; SMN2 (0.45) TSHRALDH1A1HSD17B10MAPTKDM4E
SCHEMBL7355990 0.76 EGLN3 (0.40) TSHRALDH1A1MAPTKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL7357414 0.75 PRPS1 (0.38) TSHRALDH1A1MAPTKDM4EMEN1
SCHEMBL7358971 0.74 NR1H4 (0.46) ALDH1A1MAPTKDM4EMEN1KMT2A

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