SCHEMBL21097993

SCHEMBL21097993

COCc1cnc(C#N)cc1CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 7/20 0.38
HPGD P15428 6/20 0.38
GAA P10253 1/20 0.38
DPP4 P27487 1/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 3/20 0.35
CHEK1 O14757 4/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 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
SCHEMBL837217 0.84 GABRP (0.40) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL29040356 0.76 KDM4E (0.38) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL16419610 0.74 GABRP (0.38) CHEK1GABRPGABRDGABRA1GABRB1
SCHEMBL31573332 0.73 PDXK (0.38) KDM4EALDH1A1CHEK1GABRPGABRD
SCHEMBL17781631 0.73 KDM4E (0.37) KDM4EALDH1A1CHEK1GABRPGABRD
SCHEMBL21257301 0.68 NPC1 (0.39) KDM4EALDH1A1HPGDDPP4LMNA
SCHEMBL21063436 0.66 GABRP (0.36) CHEK1GABRPGABRDGABRA1GABRB1
SCHEMBL2056345 0.66 GABRP (0.36) CHEK1GABRPGABRDGABRA1GABRB1
SCHEMBL836977 0.66 CHEK1 (0.37) CHEK1GABRPGABRDGABRA1GABRB1
SCHEMBL20917583 0.66 AR (0.38) CHEK1GABRPGABRDGABRA1GABRB1

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
WO-2019118612-A1 TARGETING COMPOUNDS ZAFGEN, INC. (US) 2019-06-20 WO disclosed