SCHEMBL8058665

SCHEMBL8058665

CCCCCCCCCCCCc1ccc(C2=NCCO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NISCH Q9Y2I1 1/20 0.46
TSHR P16473 1/20 0.45
ESR1 P03372 2/20 0.45
ADRA2A P08913 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
TACR2 P21452 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45

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
SCHEMBL2045962 0.87 NISCH (0.49) MAPTRAB9ASMN1; SMN2NISCHHRH3
SCHEMBL668013 0.80 NISCH (0.46) ALDH1A1MAPTRAB9ASMN1; SMN2NISCH
SCHEMBL31282734 0.79 KCNH2 (0.61) HSD17B10ALDH1A1KDM4EMAPTHPGD
SCHEMBL9666442 0.79 KCNH2 (0.36) MEN1KMT2ACYP3A4SPHK2SPHK1
SCHEMBL9863231 0.79 KCNH2 (0.36) MEN1KMT2ACYP3A4SPHK2SPHK1
SCHEMBL8143013 0.78 KCNH2 (0.42) MTORHRH3
SCHEMBL132013 0.76 KCNH2 (0.49) SMN1; SMN2HRH3
SCHEMBL11661972 0.74 HSD17B10 (0.71) HSD17B10ALDH1A1KDM4EMEN1MAPT
SCHEMBL11657350 0.74 HSD17B10 (0.71) HSD17B10ALDH1A1KDM4EMEN1MAPT
SCHEMBL11660215 0.74 HSD17B10 (0.71) HSD17B10ALDH1A1KDM4EMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0881991-B1 A METHOD FOR INHIBITING THE DEPOSITION OF SILICA AND SILICATE COMPOUNDS IN WATER SYSTEMS GOODRICH CO B F (US) 2000-05-03 EP disclosed
EP-0881991-A1 A METHOD FOR INHIBITING THE DEPOSITION OF SILICA AND SILICATE COMPOUNDS IN WATER SYSTEMS The B.F. Goodrich Company (US) 1998-12-09 EP disclosed
WO-1997036831-A1 A METHOD FOR INHIBITING THE DEPOSITION OF SILICA AND SILICATE COMPOUNDS IN WATER SYSTEMS THE B.F. GOODRICH COMPANY (US) 1997-10-09 WO disclosed
US-5658465-A USING A NITROGEN CONTAINING POLYMER THE B.F. GOODRICH COMPANY (US) 1997-08-19 US disclosed