SCHEMBL7912797

SCHEMBL7912797

Nc1ccc2c(ccc3cccc(N)c32)c1C1=CC(=O)C=CC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
JAK2 O60674 1/20 0.36
RPS6KA3 P51812 1/20 0.36
MELK Q14680 1/20 0.36
STK24 Q9Y6E0 1/20 0.36
HSD17B3 P37058 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 2/20 0.34
USP2 O75604 2/20 0.34
KMT2A Q03164 2/20 0.34
TYMS P04818 2/20 0.34
CYP1A2 P05177 2/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 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
SCHEMBL7914952 0.83 ALDH1A1 (0.53) CCR6HKDC1MAOAMAOBHSD17B3
SCHEMBL7918755 0.76 MEN1 (0.35) CCR6HKDC1MAOAMAOBHSD17B3
SCHEMBL7915319 0.71 ALDH1A1 (0.38) CCR6HKDC1MAOAMAOBHSD17B3
SCHEMBL309868 0.70 MAOA (0.42) CCR6HKDC1MAOAMAOBHSD17B3
Benzoquinone SCHEMBL9225792 0.69 JAK2 (0.53) MAOAMAOBJAK2RPS6KA3MELK
SCHEMBL1966364 0.69 MAOA (0.41) CCR6HKDC1MAOAMAOBHSD17B3
Benzoquinone SCHEMBL27576817 0.69 MAOA (0.41) CCR6HKDC1MAOAMAOBHSD17B3
SCHEMBL11577947 0.69 CYP1A2 (0.53) CCR6HKDC1MAOAMAOBHSD17B3
SCHEMBL499148 0.68 ALDH1A1 (0.41) CCR6HKDC1MAOAMAOBHSD17B3
SCHEMBL16107486 0.68 ALDH1A1 (0.59) MAOAJAK2RPS6KA3MELKSTK24

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