SCHEMBL7516002

SCHEMBL7516002

Cc1ccc2oc(COCC(=O)NCc3cccc(CN)c3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.39
TP53 P04637 3/20 0.39
MAPT P10636 3/20 0.39
MMP13 P45452 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
RAB9A P51151 1/20 0.38
ACSL1 P33121 1/20 0.38
XDH P47989 1/20 0.38
CETP P11597 2/20 0.37
CEPT1 Q9Y6K0 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7515762 0.88 TP53 (0.41) TP53MAPTKMT2A
SCHEMBL7518226 0.85 TSHR (0.48) P2RY14TP53MAPTRAB9AXDH
SCHEMBL7886119 0.80 LOXL2 (0.46) TP53MAPTRAB9ACETP
SCHEMBL11324879 0.75 RAB9A (0.53) P2RY14TP53MAPTRXFP1RAB9A
SCHEMBL7512433 0.73 POLB (0.41) TP53MAPTRAB9AKMT2A
SCHEMBL7520218 0.70 KMT2A (0.56) RAB9AKMT2A
SCHEMBL3826911 0.68 KMT2A (0.45) MAPTKMT2A
SCHEMBL12394367 0.68 RAB9A (0.57) TP53MAPTMMP13RAB9A
SCHEMBL11329123 0.66 KDM4E (0.48) P2RY14TP53MAPTRAB9AKMT2A
SCHEMBL4926605 0.66 TPSAB1 (0.56)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007518-A4 SOLID AND LIQUID-PHASE SYNTHESIS OF BENZOXAZOLES AND BENZOTHIAZOLES AND THEIR USE SEPRACOR INC (US) 2002-11-06 EP disclosed
EP-1007518-A1 SOLID AND LIQUID-PHASE SYNTHESIS OF BENZOXAZOLES AND BENZOTHIAZOLES AND THEIR USE SEPRACOR, INC. (US) 2000-06-14 EP disclosed
WO-1999009017-A1 SOLID AND LIQUID-PHASE SYNTHESIS OF BENZOXAZOLES AND BENZOTHIAZOLES AND THEIR USE SEPRACOR INC. (US) 1999-02-25 WO disclosed