SCHEMBL6955273

SCHEMBL6955273

c1ccc(Cc2ccc(-c3nnn[nH]3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.43
LTA4H P09960 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
XDH P47989 1/20 0.38
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
POLB P06746 1/20 0.37
IDH1 O75874 1/20 0.35
BTK Q06187 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
PLA2G10 O15496 1/20 0.34

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
SCHEMBL6957069 0.89 MAOA (0.39) LMNADAO
SCHEMBL6962342 0.86 MAOB (0.43) NPC1RAB9ATSHRSMN1; SMN2L3MBTL1
SCHEMBL6958334 0.85 HRH3 (0.41) CALM1NR1H2NR1H3NPC1RAB9A
SCHEMBL6957566 0.85 MAOB (0.42)
SCHEMBL6960108 0.85 MAOB (0.42)
SCHEMBL6505461 0.83 NR1H2 (0.41) NR1H2NR1H3NPC1RAB9APOLB
SCHEMBL4950 0.82 NR1H2 (0.43) NR1H2NR1H3NPC1RAB9APOLB
SCHEMBL11531377 0.82 NPC1 (0.31) NR1H2NR1H3NPC1RAB9APOLB
Bromide SCHEMBL27863912 0.81 NR1H2 (0.39) NR1H2NR1H3NPC1RAB9APOLB
Bromide SCHEMBL8589844 0.81 NR1H2 (0.42) NR1H2NR1H3NPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116082316-A Preparation method of visible light-promoted azolyl hemiaminal compound 南通大学 2023-05-09 CN disclosed
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
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
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed