SCHEMBL27487153

SCHEMBL27487153

COc1nc2ccc(Cl)c(-n3c(CO)nnc3-c3ccccc3)c2nc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.37
APLNR P35414 1/20 0.35
GABRA1 P14867 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
GABRA2 P47869 1/20 0.33
AVPR2 P30518 1/20 0.33
AVPR1A P37288 1/20 0.33
OXTR P30559 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL27489462 0.89 APLNR (0.41) APLNRALDH1A1MAPT
SCHEMBL7677420 0.88 GLA (0.36) GLAAPLNRGABRA1GABRG2GABRB3
SCHEMBL27413423 0.85 TLR8 (0.34) KCNJ5KCNJ3
SCHEMBL27434412 0.81 PDE2A (0.44) GABRA2NPC1RAB9AALDH1A1MAPT
SCHEMBL27541050 0.79 APLNR (0.41) APLNRAVPR1AOXTRALDH1A1MAPT
SCHEMBL27502563 0.73 APLNR (0.43) APLNRNPC1RAB9AALDH1A1
SCHEMBL27410461 0.72 ACHE (0.41) APLNRALDH1A1MAPTNPSR1
SCHEMBL7681996 0.71 TLR8 (0.36) KCNJ5KCNJ3
SCHEMBL27541048 0.70 MEN1 (0.33)
SCHEMBL7682502 0.69 PDE2A (0.43) GABRA2ALDH1A1MAPTNPSR1

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-1213369-A Quinoxalinedione compound PFIZER RES & DEV (IE) 1999-04-07 CN disclosed