SCHEMBL8178131

SCHEMBL8178131

CC(C)(C)c1ccc(-n2c(S)n[nH]c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KMT2A Q03164 2/20 0.40
NOTUM Q6P988 1/20 0.40
DAO P14920 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 1/20 0.37
NR1H4 Q96RI1 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36

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
SCHEMBL8186274 0.78 ALDH1A1 (0.44) L3MBTL1POLBTDP1NOTUMCYP2C9
SCHEMBL8178332 0.78 GSK3A (0.50) L3MBTL1TDP1KMT2ACYP1A2CYP2C19
SCHEMBL29191759 0.73 GAA (0.54) KMT2ANOTUMDAOCYP2C9CYP2C19
SCHEMBL8177807 0.71 NOTUM (0.41) L3MBTL1POLBTDP1NOTUMCYP1A2
SCHEMBL15077184 0.68 HTT (0.54) POLBTDP1NOTUMNR1H4NPC1
SCHEMBL8177459 0.68 CYP1A2 (0.74) L3MBTL1POLBKMT2ANOTUMCYP1A2
SCHEMBL5905952 0.68 CYP1A2 (0.69) L3MBTL1POLBTDP1NOTUMCYP1A2
SCHEMBL8602716 0.67 SMN1; SMN2 (0.40) POLBTDP1NOTUMDAONPC1
SCHEMBL23643217 0.66 GSK3A (0.54) POLBKMT2ACYP2C9CYP2C19NR1H4
SCHEMBL9696181 0.66 GSK3A (0.44) L3MBTL1POLBTDP1KMT2ACYP1A2

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-2008118626-A9 INHIBITORS OF JNK AND METHODS FOR IDENTIFYING INHIBITORS OF JNK BURNHAM INST MEDICAL RESEARCH (US) 2008-12-18 WO disclosed
WO-2008118626-A2 INHIBITORS OF JNK AND METHODS FOR IDENTIFYING INHIBITORS OF JNK BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2008-10-02 WO disclosed