SCHEMBL8536301

SCHEMBL8536301

Nc1cccc(-c2cnc(-c3cccc(N)c3)s2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.65
HSD17B2 P37059 3/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C9 P11712 1/20 0.65
MAP4K4 O95819 5/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
KMT2A Q03164 1/20 0.49
RELA Q04206 1/20 0.49
TP53 P04637 1/20 0.49
GLA P06280 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL4873419 0.84 HSD17B1 (0.51) HSD17B1HSD17B2CYP3A4CYP2C9MAP4K4
SCHEMBL12601168 0.84 MAP4K4 (0.53) HSD17B1HSD17B2CYP3A4CYP2C9MAP4K4
SCHEMBL20641464 0.81 SNCA (0.54) HSD17B1HSD17B2CYP3A4CYP2C9MAP4K4
SCHEMBL27425485 0.81 MAP4K4 (0.50) HSD17B1HSD17B2CYP3A4CYP2C9MAP4K4
SCHEMBL12947929 0.81 MAP4K4 (0.50) HSD17B1HSD17B2CYP3A4CYP2C9MAP4K4
SCHEMBL2667905 0.81 MAP4K4 (0.49) HSD17B1HSD17B2CYP3A4CYP2C9MAP4K4
SCHEMBL13852348 0.80 MAP4K4 (0.45) HSD17B1HSD17B2CYP3A4CYP2C9MAP4K4
SCHEMBL20379368 0.79 HSD17B1 (0.53) HSD17B1HSD17B2CYP3A4CYP2C9NPC1
SCHEMBL31312542 0.79 HSD17B1 (0.53) HSD17B1HSD17B2CYP3A4CYP2C9NPC1
SCHEMBL1181184 0.79 HSD17B1 (1.00) HSD17B1HSD17B2CYP3A4CYP2C9RAB9A

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
EP-0059434-B2 Multi-layer printed circuit board and process for production thereof HITACHI LTD (JP) 1999-08-25 EP disclosed
EP-0269021-A1 Resin composition for printed circuit board and such board formed by use thereof HITACHI, LTD. (JP) 1988-06-01 EP disclosed
EP-0059434-A2 Multi-layer printed circuit board and process for production thereof Hitachi, Ltd. (JP) 1982-09-08 EP disclosed