SCHEMBL20006272

SCHEMBL20006272

CC(C)CCCOc1ccc(Br)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
GABRA5 P31644 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
GBA1 P04062 1/20 0.36
LSS P48449 2/20 0.36
PPIA P62937 1/20 0.34

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
SCHEMBL22732689 0.91 GABRA5 (0.44) KDM4EGABRA5GABRPGABRDGABRA1
SCHEMBL10154541 0.80 GABRA5 (0.42) KDM4EGABRA5GABRPGABRDGABRA1
SCHEMBL3104534 0.80 KDM4E (0.44) KDM4EGABRA5GABRPGABRDGABRA1
SCHEMBL16498201 0.79 KDM4E (0.39) KDM4EGABRA5GBA1LSS
SCHEMBL3994090 0.79 CYP3A4 (0.49) KDM4EGABRA5GABRPGABRDGABRA1
SCHEMBL456392 0.78 KDM4E (0.46) KDM4EGABRA5GABRPGABRDGABRA1
SCHEMBL7882592 0.77 CYP3A4 (0.51) KDM4EGABRA5GBA1LSSCYP3A4
SCHEMBL9699977 0.77 CYP3A4 (0.51) KDM4EGABRA5GBA1LSSCYP3A4
SCHEMBL7079305 0.77 CYP3A4 (0.51) KDM4EGABRA5GBA1LSSCYP3A4
SCHEMBL7332235 0.77 CYP3A4 (0.51) KDM4EGABRA5GBA1LSSCYP3A4

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
EP-3140303-B1 IMIDAZO[4,5-C]QUINOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2018-03-28 EP disclosed