SCHEMBL44333

SCHEMBL44333

Cc1nc(-c2cccc(-c3cn4cc(C)sc4n3)c2)no1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
CYP19A1 P11511 1/20 0.41
TP53 P04637 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
THRB P10828 1/20 0.41
KIFC1 Q9BW19 3/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
BACE1 P56817 2/20 0.39
BACE2 Q9Y5Z0 2/20 0.39
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
MET P08581 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL44745 0.85 HDAC6 (0.41) L3MBTL1CYP19A1
SCHEMBL44571 0.85 NOTUM (0.47) L3MBTL1CYP19A1TP53SMN1; SMN2THRB
SCHEMBL44368 0.83 SMN1; SMN2 (0.43) L3MBTL1TP53SMN1; SMN2THRBMAPT
SCHEMBL44399 0.80 KCNH2 (0.40) CYP19A1TP53SMN1; SMN2THRBKIFC1
SCHEMBL44656 0.78 MAPT (0.41) THRBMAPTPOLBLMNARAB9A
SCHEMBL3667489 0.77 F2RL3 (0.54) CYP19A1TP53SMN1; SMN2THRBMAPT
SCHEMBL44509 0.77 L3MBTL1 (0.60) L3MBTL1TP53SMN1; SMN2BACE1BACE2
SCHEMBL13130238 0.77 L3MBTL1 (1.00) L3MBTL1TP53SMN1; SMN2TRPM8MAPT
SCHEMBL11030523 0.75 TP53 (0.59) CYP19A1TP53SMN1; SMN2THRBMAPT
SCHEMBL44391 0.75 THRB (0.44) THRBMAPT

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