SCHEMBL7915668

SCHEMBL7915668

[O-][n+]1c2ccccc2nc2ccc3ccccc3c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
ATM Q13315 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP2A6 P11509 2/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 2/20 0.35
NPC1 O15118 2/20 0.35
MEN1 O00255 1/20 0.35
APAF1 O14727 1/20 0.35
POLB P06746 1/20 0.35
PABPC1 P11940 1/20 0.35
MMP14 P50281 1/20 0.35
BLM P54132 1/20 0.35
CASP6 P55212 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
SCHEMBL29359446 0.77 CRHBP (0.61) CRHBPCRHR2KEAP1NFE2L2ATM
SCHEMBL51330 0.77 CRHBP (0.61) CRHBPCRHR2KEAP1NFE2L2ATM
SCHEMBL15780725 0.75 CRHBP (0.49) CRHBPCRHR2KEAP1NFE2L2ATM
SCHEMBL8688658 0.74 ALDH1A1 (0.44) CRHBPCRHR2KEAP1NFE2L2ATM
SCHEMBL28532290 0.70 CRHBP (0.64) CRHBPCRHR2KEAP1NFE2L2ATM
Phenanthrene SCHEMBL28225171 0.70 ALDH1A1 (0.75) CYP3A4ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL17743706 0.69 CYP3A4 (0.46) CYP3A4ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL30380175 0.67 CRHBP (0.47) CRHBPCRHR2KEAP1NFE2L2ATM
SCHEMBL6684284 0.65 ALDH1A1 (0.50) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL15010394 0.63 CRHBP (1.00) CRHBPCRHR2KEAP1NFE2L2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0872903-B1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder SHINETSU CHEMICAL CO (JP) 2001-10-04 EP disclosed
US-6277519-B1 QUENCHING AN ALLOY MELT; COMMINUTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-08-21 US disclosed
US-6096144-A TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-01 US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed