SCHEMBL8957952

SCHEMBL8957952

CCCCc1nc2c([nH]1)CCCC2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
PARP1 P09874 1/20 0.36
GPR84 Q9NQS5 5/20 0.35
HRH4 Q9H3N8 1/20 0.35

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
SCHEMBL18462548 0.96 ALDH1A1 (0.43) ALDH1A1MAPK1MEN1KMT2AHIF1A
SCHEMBL22858756 0.89 HRH4 (0.36) ALDH1A1MEN1KMT2AHIF1AHRH4
SCHEMBL9178197 0.81 HRH4 (0.38) MEN1KMT2AHRH4
SCHEMBL22487790 0.77 ADORA1 (0.38) HRH4
SCHEMBL9844062 0.77 HPGD (0.56) ALDH1A1MEN1KMT2AHIF1APARP1
SCHEMBL9843755 0.73 HPGD (0.59) ALDH1A1MEN1KMT2AHIF1APARP1
SCHEMBL13318361 0.73 HRH4 (0.35) HRH4
SCHEMBL24549747 0.72 TNKS2 (0.39) KMT2AHRH4
SCHEMBL1082422 0.72 HPGD (0.55) ALDH1A1MEN1KMT2AHIF1APARP1
Hydrochloric Acid SCHEMBL14716148 0.72 HDAC6 (0.36) HRH4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5559233-A 3-/P-PHENYLBENZYL/IMIDAZOLONES AND PYRIMIDONES SANOFI (FR) 1996-09-24 US disclosed
US-5352788-A Angiotensin antagonist ELF SANOFI (FR) 1994-10-04 US disclosed
US-5270317-A N-substituted heterocyclic derivatives, their preparation and the pharmaceutical compositions in which they are present ELF SANOFI (FR) 1993-12-14 US disclosed