SCHEMBL9044830

SCHEMBL9044830

Cc1nc(Cl)c(-c2ccc(Cl)cc2)c(Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
CYP1A2 P05177 3/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
IKBKB O14920 1/20 0.44
MAP3K14 Q99558 1/20 0.44
HTR2A P28223 2/20 0.44
HTR2B P41595 2/20 0.44
HTR2C P28335 1/20 0.44
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.41
TP53 P04637 2/20 0.41
KMT2A Q03164 2/20 0.41
SLC22A1 O15245 1/20 0.41
DHFR P00374 1/20 0.41
HEXA P06865 1/20 0.41

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
SCHEMBL31504610 0.84 L3MBTL1 (0.54) MAPTCYP1A2ALDH1A1KDM4EMAPK1
SCHEMBL11864905 0.81 CYP1A2 (0.57) MAPTCYP1A2ALDH1A1KDM4EMAPK1
SCHEMBL3425540 0.78 LMNA (0.48) MAPTCYP1A2ALDH1A1KDM4EHSD17B10
SCHEMBL12496122 0.77 NPC1 (0.59) MAPTCYP1A2ALDH1A1KDM4EMAPK1
SCHEMBL7699598 0.77 KDM4E (0.49) MAPTCYP1A2ALDH1A1KDM4EMAPK1
SCHEMBL9044409 0.75 ALDH1A1 (0.55) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL16117348 0.74 NPC1 (0.56) CYP1A2ALDH1A1KDM4EHTR2AHTR2B
SCHEMBL3561069 0.72 LMNA (0.47) MAPTCYP1A2ALDH1A1KDM4EMAPK1
SCHEMBL4063214 0.71 MAPT (0.47) MAPTCYP1A2ALDH1A1KDM4EMAPK1
SCHEMBL1573080 0.71 KDM4E (0.49) MAPTCYP1A2ALDH1A1KDM4EMAPK1

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-0510526-B1 Use of sulfonamides as drug and new sulfonamides HOFFMANN LA ROCHE (CH) 1996-12-04 EP disclosed
US-5270313-A Treatment of circulatory disorders HOFFMANN-LA ROCHE INC. (US) 1993-12-14 US disclosed
EP-0510526-A1 Use of sulfonamides as drug and new sulfonamides F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1992-10-28 EP disclosed