SCHEMBL7905161

SCHEMBL7905161

O=C(c1ccccc1)c1cccc2c1ccc1ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.56
NR4A1 P22736 1/20 0.53
NR4A2 P43354 1/20 0.53
NR4A3 Q92570 1/20 0.53
AKR1C3 P42330 1/20 0.50
HPRT1 P00492 1/20 0.50
BCL2 P10415 1/20 0.49
MCL1 Q07820 1/20 0.49
BAD Q92934 1/20 0.49
PLK1 P53350 1/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL27716366 1.00 CDC25B (0.56) CDC25BNR4A1NR4A2NR4A3AKR1C3
SCHEMBL27694419 0.89 CDC25B (0.63) CDC25BNR4A1NR4A2NR4A3HPRT1
SCHEMBL547632 0.89 CDC25B (0.69) CDC25BNR4A1NR4A2NR4A3AKR1C3
SCHEMBL29522736 0.89 CDC25B (0.69) CDC25BNR4A1NR4A2NR4A3AKR1C3
SCHEMBL28879969 0.88 SOS1 (0.50) CDC25BNR4A1NR4A2NR4A3AKR1C3
Naphthalene SCHEMBL11467392 0.87 CDC25B (0.67) CDC25BNR4A1NR4A2NR4A3AKR1C3
SCHEMBL717723 0.87 AKR1C3 (0.64) CDC25BNR4A1NR4A2NR4A3AKR1C3
SCHEMBL28766762 0.85 NR4A1 (0.49) CDC25BNR4A1NR4A2NR4A3AKR1C3
SCHEMBL1666411 0.84 WDR5 (0.49) CDC25BNR4A1NR4A2NR4A3AKR1C3
SCHEMBL27716376 0.84 WDR5 (0.49) CDC25BNR4A1NR4A2NR4A3AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101088046-B Compound for resist and radiation-sensitive composition MITSUBISHI GAS CHEMICAL CO 2011-05-25 CN disclosed
CN-101088046-A Compound for resist and radiation-sensitive composition MITSUBISHI GAS CHEMICAL CO (JP) 2007-12-12 CN disclosed
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
CN-1006386-B PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER SHINETSU CHEM IND CO (JP) 1990-01-10 CN 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
CN-85107531-A Process for producing vinyl chloride polymer 1987-01-21 CN disclosed