SCHEMBL7213741

SCHEMBL7213741

CCCCc1ccnc(CCCC)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 8/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
KDM4E B2RXH2 7/20 0.39
NPSR1 Q6W5P4 3/20 0.39
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 2/20 0.33
ATM Q13315 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL7220056 0.86 MAPK1 (0.41) HPGDSMN1; SMN2ALDH1A1KDM4ENPSR1
SCHEMBL27754207 0.83 HPGD (0.36) HPGDSMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL27733897 0.83 ALDH1A1 (0.42) HPGDSMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL28205931 0.82 TYR (0.38) HPGDSMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL27754223 0.82 ALDH1A1 (0.41) HPGDSMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL27754218 0.80 ALDH1A1 (0.40) HPGDSMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL27752851 0.79 HSD17B10 (0.37) HPGDALDH1A1L3MBTL1KDM4ENPSR1
SCHEMBL6277959 0.78 HPGD (0.43) HPGDSMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL4954240 0.78 BCL6 (0.40) HPGDSMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL30319942 0.76 BCL6 (0.39) HPGDALDH1A1L3MBTL1KDM4ENPSR1

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
US-6603007-B1 Intermediates in the fields of pharmaceuticals, agrichemicals, ligands, silver halide photosensitive materials, liquid crystals, surfactants, electrophotography and organic electroluminescence SANKIO CHEMICAL CO., LTD. (JP) 2003-08-05 US disclosed
EP-1231207-A1 NOVEL BIPYRIDYL DERIVATIVES Sankio Chemical Co., Ltd. (JP) 2002-08-14 EP disclosed