SCHEMBL8945825

SCHEMBL8945825

S=c1ncccc(Cc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
BRD4 O60885 1/20 0.41
CALM1 P0DP23 1/20 0.39
MET P08581 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
KCNH2 Q12809 1/20 0.38
PAX8 Q06710 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 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
SCHEMBL8749880 0.78 BRD4 (0.45) L3MBTL1BRD4CALM1METCYP1A2
SCHEMBL64435 0.76 L3MBTL1 (0.68) L3MBTL1CALM1CYP1A2CYP2D6ALDH1A1
SCHEMBL29373231 0.76 L3MBTL1 (0.68) L3MBTL1CALM1CYP1A2CYP2D6ALDH1A1
SCHEMBL11330543 0.75 KCNH2 (0.62) L3MBTL1BRD4CALM1KCNH2ALDH1A1
SCHEMBL31276017 0.74 L3MBTL1 (0.66) L3MBTL1CALM1CYP1A2CYP2D6ALDH1A1
SCHEMBL31236458 0.74 L3MBTL1 (0.66) L3MBTL1CALM1CYP1A2CYP2D6ALDH1A1
SCHEMBL30021715 0.74 L3MBTL1 (0.66) L3MBTL1CALM1CYP1A2CYP2D6ALDH1A1
Bromide SCHEMBL10759788 0.74 L3MBTL1 (0.66) L3MBTL1CALM1CYP1A2CYP2D6ALDH1A1
Hydrochloric Acid SCHEMBL31087535 0.74 L3MBTL1 (0.71) L3MBTL1CALM1CYP1A2CYP2D6ALDH1A1
SCHEMBL29985764 0.74 L3MBTL1 (0.66) L3MBTL1CALM1CYP1A2CYP2D6ALDH1A1

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
US-5508400-A Preparation of cyclic urea compounds THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-04-16 US disclosed