SCHEMBL27882601

SCHEMBL27882601

COC(=O)Nc1oc2ccc(Br)cc2c(=O)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ GABRP O00591 1/20 0.45
▸ GABRD O14764 1/20 0.45
▸ GABRA1 P14867 1/20 0.45
▸ GABRB1 P18505 1/20 0.45
▸ GABRG2 P18507 1/20 0.45
▸ GABRB3 P28472 1/20 0.45
▸ GABRA5 P31644 1/20 0.45
▸ GABRA3 P34903 1/20 0.45
▸ GABRA2 P47869 1/20 0.45
▸ GABRB2 P47870 1/20 0.45
▸ GABRA4 P48169 1/20 0.45
▸ GABRE P78334 1/20 0.45
▸ GABRA6 Q16445 1/20 0.45

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
SCHEMBL8329 0.78 GABRP (0.44) KMT2AMEN1HPGDALDH1A1TSHR
SCHEMBL8860 0.76 KDM4E (0.58) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL1781415 0.75 GABRP (0.48) KMT2AMEN1HPGDALDH1A1TSHR
SCHEMBL7805499 0.74 GABRP (0.52) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL1781414 0.73 GABRP (0.46) KMT2AMEN1HPGDALDH1A1TSHR
SCHEMBL8459 0.73 GABRP (0.51) KMT2AMEN1TSHRKDM4EGABRP
SCHEMBL8473 0.73 PIK3CD (0.49) KMT2AMEN1HPGDALDH1A1TSHR
SCHEMBL149486 0.73 PIK3CD (0.49) KMT2AMEN1HPGDALDH1A1TSHR
SCHEMBL11633 0.72 PIK3CD (0.44) KMT2AMEN1HPGDALDH1A1TSHR
SCHEMBL11223 0.72 IDO1 (0.44) KMT2AMEN1HPGDALDH1A1KDM4E

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 disclosed
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