SCHEMBL6958331

SCHEMBL6958331

CCCc1ccccc1C(=N)NN

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KDR P35968 1/20 0.36
HCRTR1 O43613 5/20 0.36
HCRTR2 O43614 5/20 0.36
LMNA P02545 1/20 0.36
CTSD P07339 1/20 0.35
HTT P42858 3/20 0.35
KMT2A Q03164 2/20 0.33
FOLH1 Q04609 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL6955710 0.90 CYP3A4 (0.42) ALDH1A1GAAMAPTHTTCYP3A4
SCHEMBL6955322 0.87 LIPG (0.50) MAPTHTTKMT2ACYP3A4LIPG
SCHEMBL6949124 0.87 LIPG (0.50) MAPTHTTKMT2ACYP3A4LIPG
SCHEMBL6961935 0.85 GAA (0.46) ALDH1A1GAAMAPTCTSDHTT
SCHEMBL6961344 0.81 ALDH1A1 (0.51) ALDH1A1GAAMAPTLMNAHTT
SCHEMBL30286812 0.80 CTSD (0.51) ALDH1A1GAAMAPTKDRHCRTR1
SCHEMBL10804965 0.79 KMT2A (0.39) ALDH1A1KDRHCRTR1HCRTR2LMNA
SCHEMBL6955302 0.78 MAOA (0.43) ALDH1A1GAALMNAL3MBTL1
Water SCHEMBL28035664 0.78 KMT2A (0.38) ALDH1A1KDRHCRTR1HCRTR2LMNA
SCHEMBL23965685 0.77 ALDH1A1 (0.40) ALDH1A1KDRHCRTR1HCRTR2LMNA

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 5 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
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