SCHEMBL9423908

SCHEMBL9423908

COc1ccccc1Oc1c(Cl)nc(-c2ccccn2)nc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
DHPS P49366 11/20 0.54
FFAR1 O14842 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
TP53 P04637 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
HSD17B10 Q99714 1/20 0.49
METAP1 P53582 1/20 0.49
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL29770374 0.87 DHPS (0.58) DHPS
SCHEMBL618135 0.87 DHPS (0.58) DHPS
SCHEMBL7700308 0.85 DHPS (0.51) LMNADHPSL3MBTL1MEN1KMT2A
SCHEMBL20665876 0.85 METAP1 (0.57) LMNAL3MBTL1MEN1KMT2APOLB
SCHEMBL6581656 0.83 DHPS (0.52) LMNADHPSFFAR1L3MBTL1MEN1
SCHEMBL9423634 0.83 FFAR1 (0.51) LMNAFFAR1L3MBTL1MEN1KMT2A
SCHEMBL27715920 0.82 LMNA (0.49) LMNADHPSFFAR1MEN1KMT2A
SCHEMBL7303389 0.79 DHPS (0.81) LMNADHPSMEN1KMT2AGAA
SCHEMBL7795451 0.79 DHPS (0.53) DHPS
SCHEMBL21741033 0.78 METAP1 (0.50) LMNAL3MBTL1MEN1KMT2APOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013057545-A1 ACID ADDITION SALTS OF BOSENTAN BIOCON LIMITED (IN) 2013-04-25 WO disclosed
US-5292740-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed