SCHEMBL6957591

SCHEMBL6957591

N=C(NN)c1ccccc1Br

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MIF P14174 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL10519928 0.84 CTSD (0.38) ALDH1A1KMT2AMEN1CA1CA2
SCHEMBL27978394 0.82 ALDH1A1 (0.42) ALDH1A1MIFNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6686934 0.81 BLM (0.39) ALDH1A1KMT2AMEN1CA1CA2
SCHEMBL4239016 0.79 F2 (0.44) ALDH1A1MIFNPC1RAB9AHPGD
Hydrochloric Acid SCHEMBL1034550 0.77 BLM (0.46) ALDH1A1MIFNPC1RAB9AHPGD
SCHEMBL2956029 0.76 KDM4E (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL29943903 0.76 KDM4E (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL2957138 0.76 ALDH1A1 (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL7121807 0.76 F2 (0.41) ALDH1A1HPGDKMT2ACA1CA2
SCHEMBL28563351 0.75 KMT2A (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD

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
WO-2017059411-A9 INHIBITORS OF MENAQUINONE BIOSYNTHESIS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2017-08-31 WO 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