SCHEMBL11861673

SCHEMBL11861673

O=c1nc(-c2ccco2)c2ccccc2n1CC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 1/20 0.40
▸ ADORA2A P29274 5/20 0.40
▸ ALDH1A1 P00352 8/20 0.39
▸ LMNA P02545 5/20 0.39
▸ PKM P14618 4/20 0.39
▸ TSHR P16473 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ADORA2B P29275 4/20 0.39
▸ ADORA1 P30542 3/20 0.39
▸ KDM4E B2RXH2 5/20 0.38
▸ MAPT P10636 4/20 0.38
▸ HPGD P15428 4/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ POLB P06746 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ BLM P54132 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ CASP1 P29466 2/20 0.38
▸ PTPN7 P35236 2/20 0.38

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
SCHEMBL11860933 0.85 ADORA3 (0.46) ADORA2AALDH1A1LMNATSHRADORA2B
SCHEMBL11870272 0.82 ALDH1A1 (0.46) CASRADORA2AALDH1A1PKMTSHR
SCHEMBL11868954 0.81 CHEK1 (0.43) ADORA2ALMNAADORA2BADORA1MAPT
SCHEMBL11162361 0.80 LMNA (0.54) LMNAMAPTPOLBTP53
SCHEMBL11867581 0.79 ADORA2A (0.43) CASRADORA2AALDH1A1LMNAPKM
SCHEMBL11468014 0.76 LMNA (0.56) LMNAMAPTPOLBTP53
SCHEMBL11867768 0.75 MAPT (0.40) ADORA2AALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL14347514 0.72 RORA (0.40) ALDH1A1LMNATSHRKDM4EMAPT
SCHEMBL14374207 0.72 MAT2A (0.43) ALDH1A1LMNATSHRKDM4EMAPT
SCHEMBL11462895 0.68 MAPT (0.44) LMNAMAPTPOLBTDP1TP53

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
US-3950526-A Quinazoline derivatives in pharmaceutical compositions for treating pain and inflammation SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-04-13 — — US disclosed
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