SCHEMBL7889305

SCHEMBL7889305

CC(C)Oc1ccc(C(=O)Nc2ccc3oc(C(N)=S)cc(=O)c3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.51
MAPT P10636 9/20 0.50
TP53 P04637 5/20 0.50
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 2/20 0.50
THRB P10828 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MCL1 Q07820 1/20 0.50
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
MAOB P27338 3/20 0.47
MAPK1 P28482 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL7889536 0.90 MAOA (0.60) MAOAMAPTTP53ALDH1A1KDM4E
SCHEMBL7991328 0.88 MAOA (0.49) MAOAMAPTALDH1A1KDM4ETHRB
SCHEMBL7897072 0.88 POLB (0.65) MAOAMAPTTP53ALDH1A1LMNA
SCHEMBL7896357 0.86 POLB (0.55) MAOAMAPTTP53ALDH1A1LMNA
SCHEMBL7899059 0.86 POLB (0.55) MAOAMAPTTP53ALDH1A1KDM4E
SCHEMBL6951795 0.85 MAOA (0.52) MAOAMAPTTP53ALDH1A1LMNA
SCHEMBL7897922 0.84 MAOB (0.56) MAOAMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL7899216 0.83 POLB (0.52) MAOAMAPTTP53LMNAKDM4E
SCHEMBL7896345 0.83 POLB (0.52) MAOAMAPTTP53LMNAKDM4E
SCHEMBL7896325 0.82 MCHR1 (0.47) MAOAMAPTTP53POLBSMN1; SMN2

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
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
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed