SCHEMBL27490067

SCHEMBL27490067

O=C(O)c1cccc2c(C=NO)c[nH]c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.59
▸ NPC1 O15118 2/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ GAA P10253 2/20 0.59
▸ HTT P42858 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ RRM1 P23921 1/20 0.46
▸ KEAP1 Q14145 1/20 0.41
▸ PIM1 P11309 2/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ PBRM1 Q86U86 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TRIM24 O15164 1/20 0.40
▸ TRIM33 Q9UPN9 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GFER P55789 1/20 0.39

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
SCHEMBL5404631 0.83 PIM1 (0.60) KDM4ENPC1RAB9AKMT2AGAA
SCHEMBL5404629 0.83 PIM1 (0.60) KDM4ENPC1RAB9AKMT2AGAA
SCHEMBL2220800 0.83 TRIM24 (0.58) KDM4ENPC1RAB9AKMT2AGAA
SCHEMBL29950729 0.83 TRIM24 (0.58) KDM4ENPC1RAB9AKMT2AGAA
SCHEMBL2811213 0.78 HTT (0.59) KDM4ENPC1RAB9AKMT2AGAA
SCHEMBL29415445 0.78 HTT (0.59) KDM4ENPC1RAB9AKMT2AGAA
SCHEMBL29264080 0.74 DNA2 (0.47) KDM4ENPC1RAB9AKMT2AGAA
SCHEMBL29264078 0.74 DNA2 (0.47) KDM4ENPC1RAB9AKMT2AGAA
SCHEMBL30946589 0.74 DNA2 (0.52) NPC1KMT2AGAAHTTHPGD
SCHEMBL27174908 0.74 DNA2 (0.52) NPC1KMT2AGAAHTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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