SCHEMBL28740845

SCHEMBL28740845

CCCCc1[nH]c2ccccc2c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ HPGD P15428 5/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ GABRP O00591 1/20 0.44
▸ GABRD O14764 1/20 0.44
▸ GABRA1 P14867 1/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ GABRB1 P18505 1/20 0.44
▸ GABRG2 P18507 1/20 0.44
▸ GABRB3 P28472 1/20 0.44
▸ GABRA5 P31644 1/20 0.44
▸ GABRA3 P34903 1/20 0.44
▸ GABRA2 P47869 1/20 0.44
▸ GABRB2 P47870 1/20 0.44
▸ GABRA4 P48169 1/20 0.44
▸ GABRE P78334 1/20 0.44
▸ GABRA6 Q16445 1/20 0.44
▸ GABRG1 Q8N1C3 1/20 0.44
▸ GABRG3 Q99928 1/20 0.44

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
SCHEMBL27835978 0.95 OXER1 (0.48) KDM4EALDH1A1HPGDHSD17B10GABRP
SCHEMBL27350234 0.83 PDE9A (0.50) KDM4EALDH1A1HPGDHSD17B10GABRP
SCHEMBL1252201 0.78 PDE9A (0.45) KDM4EALDH1A1HPGDHSD17B10GABRP
SCHEMBL28987798 0.77 CHRNB2 (0.58) KDM4EALDH1A1HPGDHSD17B10GABRP
SCHEMBL10082865 0.77 RAB9A (0.57) KDM4EALDH1A1HPGDHSD17B10GABRP
SCHEMBL7854515 0.77 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHTTCYP1A2
SCHEMBL28674730 0.74 CHRNB2 (0.59) KDM4EALDH1A1HPGDHSD17B10GABRP
SCHEMBL5465366 0.73 CHRNB2 (0.54) KDM4EALDH1A1HPGDHSD17B10GABRP
SCHEMBL28987813 0.73 MEN1 (0.52) KDM4EALDH1A1HPGDHSD17B10GABRP
SCHEMBL9696662 0.73 PDE9A (0.41) KDM4EALDH1A1HPGDHSD17B10GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1209809-A Noval chemical compound FUJISAWA PHARMACEUTICAL CO (JP) 1999-03-03 — — CN disclosed
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