SCHEMBL44368

SCHEMBL44368

COCc1nc(-c2cccc(-c3cn4cc(C)sc4n3)c2)no1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.43
TP53 P04637 2/20 0.43
MAPK1 P28482 5/20 0.43
RAB9A P51151 9/20 0.42
NPC1 O15118 8/20 0.42
L3MBTL1 Q9Y468 7/20 0.42
HPGD P15428 4/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 8/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 4/20 0.40
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 3/20 0.38
CASP3 P42574 2/20 0.38
SENP8 Q96LD8 2/20 0.38
SENP7 Q9BQF6 2/20 0.38

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
SCHEMBL44399 0.88 KCNH2 (0.40) SMN1; SMN2TP53MAPK1MAPTHTT
SCHEMBL44571 0.87 NOTUM (0.47) SMN1; SMN2TP53MAPK1RAB9ANPC1
SCHEMBL44656 0.86 MAPT (0.41) RAB9AHPGDMAPTALDH1A1LMNA
SCHEMBL44333 0.83 L3MBTL1 (0.58) SMN1; SMN2TP53MAPK1RAB9ANPC1
SCHEMBL44657 0.79 KDM4E (0.52) SMN1; SMN2TP53MAPK1RAB9ANPC1
SCHEMBL44745 0.79 HDAC6 (0.41) L3MBTL1
SCHEMBL44391 0.76 THRB (0.44) MAPTTHRBTSHRKMT2A
SCHEMBL44465 0.74 MAPK1 (0.45) SMN1; SMN2TP53MAPK1RAB9ANPC1
SCHEMBL12377806 0.74 SMN1; SMN2 (0.70) SMN1; SMN2TP53MAPK1RAB9ANPC1
SCHEMBL60213 0.74 L3MBTL1 (0.55) SMN1; SMN2TP53MAPK1RAB9ANPC1

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
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO claimed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed