SCHEMBL6902831

SCHEMBL6902831

CC(C)(c1ccc(Oc2ccccc2)c(N)c1N)c1ccc(Oc2ccccc2)c(N)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.44
RIPK1 Q13546 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAOA P21397 1/20 0.39
TTR P02766 2/20 0.39
MEN1 O00255 1/20 0.39
ALB P02768 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LTA4H P09960 2/20 0.38
TSHR P16473 1/20 0.38
MAOB P27338 1/20 0.36
HRH1 P35367 1/20 0.36
CTNNB1 P35222 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL1966240 0.86 RIPK1 (0.46) ADORA2ARIPK1CYP1A2CYP3A4CYP2C9
SCHEMBL21796059 0.80 ADORA2A (0.55) ADORA2ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4408621 0.77 MAOB (0.47) RIPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9494909 0.75 CYP1A2 (0.53) ADORA2ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8776759 0.75 RIPK1 (0.53) RIPK1KMT2ALTA4HTSHRHRH1
SCHEMBL10392469 0.75 RIPK1 (0.37) ADORA2ARIPK1TTRTDP1TSHR
SCHEMBL6902834 0.74 MAOA (0.38) RIPK1CYP1A2CYP3A4CYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL9248440 0.73 RIPK1 (0.52) RIPK1KMT2ALTA4HTSHRHRH1
SCHEMBL21796066 0.71 ADORA2A (0.51) ADORA2ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11593758 0.71 KDM4E (0.48) RIPK1TTRMEN1KMT2ACTNNB1

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-1114845-B1 PASTE COMPOSITION, AND PROTECTIVE FILM AND SEMICONDUCTOR DEVICE BOTH OBTAINED WITH THE SAME HITACHI CHEMICAL CO LTD (JP) 2004-07-28 EP disclosed
US-6404068-B1 (A) A THERMOPLASTIC RESIN, (B) AN EPOXY RESIN, (C) A COUPLING AGENT, (D) A POWDERY INORGANIC FILLER, (E) A POWDER HAVING RUBBER ELASTICITY AND (F) AN ORGANIC SOLVENT; LOW WATER VAPOR PERMEABILITY HITACHI CHEMICAL COMPANY, LTD. (JP) 2002-06-11 US disclosed
EP-1114845-A1 PASTE COMPOSITION, AND PROTECTIVE FILM AND SEMICONDUCTOR DEVICE BOTH OBTAINED WITH THE SAME HITACHI CHEMICAL COMPANY, LTD. (JP) 2001-07-11 EP disclosed
US-5773561-A Polymer sealants/adhesives and use thereof in electronic package assembly INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1998-06-30 US disclosed