SCHEMBL10086124

SCHEMBL10086124

O=C(O)c1cccc2c(Br)c[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PRNP P04156 1/20 0.47
KEAP1 Q14145 1/20 0.47
PBRM1 Q86U86 2/20 0.45
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
GFER P55789 2/20 0.44
MAPT P10636 1/20 0.44
PIM1 P11309 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
DNA2 P51530 1/20 0.43
CASP6 P55212 1/20 0.43

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
SCHEMBL2811213 0.85 HTT (0.59) HTTSMN1; SMN2KEAP1PBRM1KDM4E
SCHEMBL29415445 0.85 HTT (0.59) HTTSMN1; SMN2KEAP1PBRM1KDM4E
SCHEMBL29363892 0.84 BRPF1 (0.54) HTTSMN1; SMN2PRNPPBRM1KDM4E
SCHEMBL11471254 0.83 AKR1C3 (0.44) HTTSMN1; SMN2PRNPALDH1A1MAPT
SCHEMBL21805534 0.80 CDK4 (0.40) HTTSMN1; SMN2KEAP1KDM4EALDH1A1
SCHEMBL1271502 0.80 ALDH1A1 (0.58) HTTKDM4EALDH1A1HPGDNR4A2
SCHEMBL30088277 0.80 CDK4 (0.40) HTTSMN1; SMN2KEAP1KDM4EALDH1A1
SCHEMBL3762044 0.80 KDM4E (0.50) HTTSMN1; SMN2PRNPKDM4EALDH1A1
SCHEMBL28685435 0.79 AKR1C3 (0.49) HTTSMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL18589537 0.79 CSNK2A2 (0.69) HTTSMN1; SMN2KEAP1PBRM1KDM4E

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
US-20190113842-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-04-18 US disclosed
EP-2460787-A1 Amide compounds and their use as PGE2 antagonists. Astellas Pharma Inc. (JP) 2012-06-06 EP disclosed
CN-1213029-C Process for the preparation of (3-cyano-1H-indol-7-yl) (4-(4-fluorophenethyl)piperazin-1-yl)-methanone and salts thereof MERCH PATENT GMBH (DE) 2005-08-03 CN disclosed
CN-1487923-A Process for the preparation of (3-cyano-1H-indol-7-yl) (4- (4-fluorophenethyl) piperazin-1-yl) -methanone and salts thereof Ĭ��ר���ɷ����޹�˾ 2004-04-07 CN disclosed