SCHEMBL7475836

SCHEMBL7475836

O=S(=O)(O)c1sccc1Cc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 1/20 0.39
LTB4R Q15722 1/20 0.37
PTPRG P23470 1/20 0.36
FFAR2 O15552 1/20 0.35
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
MAPK8 P45983 1/20 0.35
HPGD P15428 1/20 0.35
PTGS2 P35354 1/20 0.35
DAO P14920 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 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
SCHEMBL28943849 0.83 EDNRB (0.47) KMT2ALTB4REDNRBEDNRASMN1; SMN2
SCHEMBL14955709 0.82 EDNRB (0.35) EDNRBEDNRASMN1; SMN2
SCHEMBL28090222 0.73 GABRA1 (0.32) MAPTEDNRBEDNRAALDH1A1LMNA
SCHEMBL26784516 0.72 PTPRG (0.57) MEN1KMT2AMAPTLTB4RPTPRG
SCHEMBL11505009 0.71 GSK3B (0.35) KMT2AMAPK1
SCHEMBL7475833 0.71 RAB9A (0.59) MEN1KMT2AMAPTHPGDRAB9A
SCHEMBL11295155 0.70 MAPT (0.41) MEN1KMT2AMAPTLTB4RHPGD
SCHEMBL9630943 0.70 MAPT (0.44) MEN1KMT2AMAPTLTB4RPTPRG
SCHEMBL6969462 0.70 EDNRB (0.47) MEN1KMT2AEDNRBEDNRAHPGD
SCHEMBL7336846 0.70 EDNRB (0.47) MEN1KMT2AEDNRBEDNRAHPGD

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
EP-0894088-A4 SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE POULENC RORER PHARMA (US) 2001-12-05 EP disclosed
EP-0894088-A1 SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-02-03 EP disclosed
WO-1998024784-A1 SUBSTITUTED SULFONIC ACID N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-06-11 WO disclosed