SCHEMBL6531073

SCHEMBL6531073

c1cnnc(CC2CO2)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
GOT1 P17174 1/20 0.31
CHRM1 P11229 1/20 0.31
HRH1 P35367 1/20 0.31
VNN1 O95497 1/20 0.31
P2RX7 Q99572 1/20 0.31
KCNK13 Q9HB14 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL3771338 0.77
SCHEMBL465245 0.74 HRH1 (0.44) TDP1ALDH1A1SMN1; SMN2HRH1
Hydrochloric Acid SCHEMBL28440523 0.73 HRH1 (0.42) TDP1ALDH1A1SMN1; SMN2HRH1
Phenol SCHEMBL27923007 0.71 TDP1 (0.33) TDP1GLA
SCHEMBL9771883 0.71 HTR1D (0.36) CYP1A2CTDSP1
SCHEMBL1325916 0.70
SCHEMBL3079246 0.69 CYP1A2 (0.47) CYP1A2CTDSP1GOT1CHRM1HRH1
SCHEMBL3076036 0.69 CYP1A2 (0.47) CYP1A2CTDSP1ALDH1A1GOT1CHRM1
SCHEMBL9771179 0.69 CYP3A4 (0.47) CYP1A2CTDSP1ALDH1A1TP53CYP3A4
SCHEMBL9771712 0.69 CTDSP1 (0.36) CYP1A2CTDSP1P2RX7

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-6946198-B2 A semiconductor device is bonded to a wiring board, using a liquid binder containing epoxy resins and a hydrolyzed silantriol coupling agents, a curing agent, and conductive metallic powder; low viscosity HITACHI, LTD. (JP) 2005-09-20 US disclosed
US-6821657-B1 PREHEATING A MIXTURE OF AN EPOXY RESIN, AND ORGANOSILICON COMPOUND AND WATER PRIOR TO ADDING A CURING AGENT IS EFFECTIVE TO OBTAIN A THERMOSETTING RESIN COMPOSITION WHICH HAS A LOW VISCOSITY AT A ROOM TEMPERATURE HITACHI, LTD. (JP) 2004-11-23 US disclosed
US-20040007769-A1 Solvent-free thermosetting resin composition, process for producing the same, and product therefrom TAKAHASHI AKIO (JP) 2004-01-15 US disclosed