SCHEMBL6961802

SCHEMBL6961802

CC(C)Oc1ccc(C(=O)Nc2ccc3oc(-c4nnn[nH]4)cc(=O)c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
XDH P47989 1/20 0.46
MAPT P10636 8/20 0.43
TP53 P04637 5/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
RUVBL1 Q9Y265 1/20 0.42
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MCL1 Q07820 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADCY1 Q08828 3/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL6953660 0.91 MAPT (0.48) THRBXDHMAPTTP53LMNA
SCHEMBL6950746 0.88 POLB (0.51) XDHMAPTTP53LMNAALDH1A1
SCHEMBL6962430 0.88 RUVBL1 (0.42) THRBMAPTALDH1A1NPC1RAB9A
SCHEMBL6961859 0.87 RUVBL1 (0.49) THRBXDHMAPTTP53ALDH1A1
SCHEMBL6957932 0.87 CYSLTR2 (0.51) XDHMAPTTP53LMNARAB9A
SCHEMBL6959658 0.86 JAK2 (0.45) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL6961590 0.85 RUVBL1 (0.50) MAPTPOLBRUVBL1
SCHEMBL6955693 0.85 CYSLTR2 (0.53) MAPTTP53LMNANPC1RAB9A
SCHEMBL6960379 0.85 CYSLTR2 (0.53) MAPTTP53LMNANPC1RAB9A
SCHEMBL6951291 0.82 CYSLTR2 (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-0711762-B1 PROCESS FOR PRODUCING TETRAZOLE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-08-06 EP disclosed
US-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed