SCHEMBL9048321

SCHEMBL9048321

Clc1ccc(-c2cc(-c3ccc(Cl)s3)n[nH]2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 2/20 0.51
MCL1 Q07820 2/20 0.51
POLB P06746 2/20 0.51
PKM P14618 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.49
LTA4H P09960 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
STAT3 P40763 1/20 0.43
NR1I2 O75469 1/20 0.42

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
SCHEMBL7203773 0.78 MKNK1 (0.53) MKNK1MKNK2RAB9ANPC1KMT2A
SCHEMBL9045673 0.76 MKNK1 (0.50) MKNK1MKNK2RAB9ANPC1KMT2A
SCHEMBL6231163 0.75 RAB9A (0.79) MKNK1MKNK2RAB9ANPC1KMT2A
SCHEMBL6263733 0.73 RAB9A (0.61) MKNK1MKNK2RAB9ANPC1KMT2A
SCHEMBL15425110 0.73 MKNK1 (0.64) MKNK1MKNK2RAB9ANPC1KMT2A
SCHEMBL9049682 0.73 MAPT (0.66) MKNK1MKNK2RAB9ANPC1KMT2A
SCHEMBL9047596 0.73 MAPT (0.66) MKNK1MKNK2RAB9ANPC1KMT2A
SCHEMBL9049719 0.73 GCGR (0.62) MKNK1MKNK2RAB9ANPC1KMT2A
SCHEMBL9048096 0.73 KMT2A (0.64) MKNK1MKNK2RAB9ANPC1KMT2A
SCHEMBL2053641 0.73 L3MBTL1 (0.47) RAB9ANPC1KMT2AMEN1TDP1

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
EP-0731796-A1 1,3,5-TRISUBSTITUTED PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-09-18 EP claimed
WO-1995015318-A1 1,3,5-TRISUBSTITUTED PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-06-08 WO claimed