SCHEMBL7355990

SCHEMBL7355990

O=C(O)c1cccc2c1ncn2CCCCCl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
NR1H4 Q96RI1 3/20 0.38
PRPS1 P60891 2/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
AGER Q15109 1/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CSNK2A3 Q8NEV1 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
Hydrochloric Acid SCHEMBL7357414 0.88 PRPS1 (0.38) EGLN3EGLN1LMNASMN1; SMN2ALDH1A1
SCHEMBL13668135 0.85 EGLN3 (0.38) EGLN3EGLN1LMNASMN1; SMN2ALDH1A1
SCHEMBL13668134 0.84 EGLN3 (0.37) EGLN3EGLN1LMNASMN1; SMN2ALDH1A1
SCHEMBL7353986 0.84 KDM4E (0.36) EGLN3EGLN1LMNASMN1; SMN2ALDH1A1
SCHEMBL13943658 0.84 EGLN3 (0.37) EGLN3EGLN1LMNASMN1; SMN2ALDH1A1
SCHEMBL7355082 0.84 EGLN1 (0.45) EGLN1LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7356719 0.82 HPGD (0.44) SMN1; SMN2ALDH1A1KDM4EMAPTTSHR
SCHEMBL7361829 0.81 MAPT (0.38) LMNASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL7358428 0.81 EGLN1 (0.40) EGLN1LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7359893 0.80 KMT2A (0.43) LMNAALDH1A1KDM4EMAPTALOX15

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