SCHEMBL14020155

SCHEMBL14020155

O=C(c1ccncc1)c1nc2ccccc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.58
HSD17B1 P14061 1/20 0.58
HSD17B2 P37059 1/20 0.58
ALDH1A1 P00352 3/20 0.54
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 2/20 0.51
PKM P14618 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
RECQL P46063 1/20 0.51
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL24751 0.88 HSD17B1 (0.62) PDE10AHSD17B1HSD17B2ALDH1A1RAB9A
Bromide SCHEMBL28862925 0.87 HSD17B1 (0.61) PDE10AHSD17B1HSD17B2ALDH1A1RAB9A
SCHEMBL6319718 0.84 ALDH1A1 (0.66) HSD17B1HSD17B2ALDH1A1RAB9ANPC1
SCHEMBL1304947 0.84 HSD17B1 (0.66) PDE10AHSD17B1HSD17B2ALDH1A1RAB9A
SCHEMBL24621192 0.83 SCD (0.61) PDE10AHSD17B1HSD17B2ALDH1A1RAB9A
SCHEMBL14020417 0.83 HSD17B1 (0.64) PDE10AHSD17B1HSD17B2ALDH1A1RAB9A
SCHEMBL11989060 0.83 HSD17B1 (0.60) PDE10AHSD17B1HSD17B2ALDH1A1RAB9A
SCHEMBL4088536 0.83 HSD17B1 (0.68) PDE10AHSD17B1HSD17B2ALDH1A1RAB9A
SCHEMBL28901460 0.83 HSD17B1 (0.60) PDE10AHSD17B1HSD17B2ALDH1A1RAB9A
SCHEMBL14020299 0.79 HSD17B1 (0.56) PDE10AHSD17B1HSD17B2ALDH1A1RAB9A

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
EP-1688466-B1 Ink composition, ink jet recording method, printed material, method of producing planographic printing plate, and planographic printing plate FUJIFILM CORP (JP) 2008-11-26 EP disclosed