SCHEMBL5000604

SCHEMBL5000604

O=C(Cl)c1cccc(C(=O)Cl)c1C#CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CNR2 P34972 3/20 0.35
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34

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
SCHEMBL2710679 0.88 KDM4E (0.44) P2RX7KDM4EALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL5000607 0.86 KDM4E (0.43) P2RX7KDM4EALDH1A1MAPTHPGD
SCHEMBL2708211 0.74 KDM4E (0.41) P2RX7KDM4EALDH1A1MAPTHPGD
SCHEMBL2746654 0.72 MEN1 (0.42) P2RX7KDM4EALDH1A1MAPTHPGD
SCHEMBL2746792 0.70 SRD5A2 (0.40) KDM4EHPGD
SCHEMBL2746981 0.70 KDM4E (0.42) P2RX7KDM4EALDH1A1MAPTHPGD
SCHEMBL2706856 0.70 HIF1A (0.37) P2RX7MAPTCNR2HIF1AEPAS1
SCHEMBL2187823 0.69 ALDH1A1 (0.31) ALDH1A1
SCHEMBL2747858 0.67 APP (0.42) P2RX7MAPTHTTHIF1AEPAS1
SCHEMBL2710316 0.67 HNF4A (0.39) P2RX7KDM4EHSD17B10HIF1AEPAS1

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-8337982-B2 Comprising first repeating unit obtained by reaction of bisaminophenol compound and dicarboxylic acid, at least one of which has diamondoid structure and second repeating unit obtained by reaction of bisaminophenol compound having no diamondoid structure and dicarboxylic acid; heat resistance SUMITOMO BAKELITE CO., LTD. (JP) 2012-12-25 US disclosed
US-20080206548-A1 Benzoxazole Resin Precursor, Polybenzoxazole Resin, Resin Film And Semiconductor Device SUMITOMO BAKELITE CO., LTD (JP) 2008-08-28 US disclosed
EP-1832619-A1 BENZOXAZOLE RESIN PRECURSOR, POLYBENZOXAZOLE RESIN, RESIN FILM, AND SEMICONDUCTOR DEVICE Sumitomo Bakelite Company, Limited (JP) 2007-09-12 EP disclosed