SCHEMBL6955302

SCHEMBL6955302

N=C(NN)c1ccccc1CCCCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
NOS1 P29475 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ADRB2 P07550 1/20 0.42
MAOB P27338 2/20 0.42
BID P55957 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
BAK1 Q16611 1/20 0.41
SIGMAR1 Q99720 4/20 0.41
SLC6A5 Q9Y345 2/20 0.40
MPO P05164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NLRP3 Q96P20 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL6958346 0.98 SIGMAR1 (0.43) MAOANOS1ALDH1A1ADRB2MAOB
SCHEMBL6961297 0.98 SIGMAR1 (0.43) MAOANOS1ALDH1A1ADRB2MAOB
SCHEMBL6961344 0.90 ALDH1A1 (0.51) MAOANOS1ALDH1A1ADRB2MAOB
SCHEMBL6949124 0.83 LIPG (0.50) BIDBCL2L1MCL1BAK1
SCHEMBL6955322 0.83 LIPG (0.50) BIDBCL2L1MCL1BAK1
SCHEMBL6955710 0.82 CYP3A4 (0.42) ALDH1A1L3MBTL1GAA
SCHEMBL6955079 0.81 CYP2D6 (0.49) ALDH1A1BCL2L1L3MBTL1
SCHEMBL6952738 0.79 KMT2A (0.47) LMNA
SCHEMBL6957250 0.78 HDAC1 (0.51) MAOANOS1MAOBSIGMAR1
SCHEMBL6958331 0.78 ALDH1A1 (0.37) ALDH1A1L3MBTL1LMNAGAA

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 4 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-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