SCHEMBL27899985

SCHEMBL27899985

CN(C(=O)OC(C)(C)C)c1oc2ccc(Br)cc2c(=O)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.42
GABRD O14764 3/20 0.42
GABRA1 P14867 3/20 0.42
GABRB1 P18505 3/20 0.42
GABRG2 P18507 3/20 0.42
GABRB3 P28472 3/20 0.42
GABRA5 P31644 3/20 0.42
GABRA3 P34903 3/20 0.42
GABRA2 P47869 3/20 0.42
GABRB2 P47870 3/20 0.42
GABRA4 P48169 3/20 0.42
GABRE P78334 3/20 0.42
GABRA6 Q16445 3/20 0.42
GABRG1 Q8N1C3 3/20 0.42
GABRG3 Q99928 3/20 0.42
GABRQ Q9UN88 3/20 0.42
BRD4 O60885 1/20 0.39
MAPT P10636 5/20 0.39
TSHR P16473 2/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL11222 0.87 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1781415 0.85 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7805499 0.80 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL149486 0.76 PIK3CD (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8473 0.76 PIK3CD (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11223 0.75 IDO1 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8474 0.73 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8587 0.73 NMUR2 (0.45) BRD4TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL8860 0.72 KDM4E (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11634 0.72 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2

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-102812013-A Novel Benzopyran Kinase Modulators INCOZEN THERAPEUTICS PVT LTD 2012-12-05 CN claimed