SCHEMBL44571

SCHEMBL44571

Cc1cn2cc(-c3cccc(-c4noc(CO)n4)c3)nc2s1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.47
CYP19A1 P11511 1/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
TP53 P04637 2/20 0.40
THRB P10828 1/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
MAPK1 P28482 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 3/20 0.38
PTPN1 P18031 1/20 0.38
HTT P42858 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 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
SCHEMBL44368 0.87 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1TP53THRBRAB9A
SCHEMBL44399 0.86 KCNH2 (0.40) CYP19A1SMN1; SMN2TP53THRBMAPK1
SCHEMBL44333 0.85 L3MBTL1 (0.58) CYP19A1SMN1; SMN2L3MBTL1TP53THRB
SCHEMBL44656 0.81 MAPT (0.41) THRBRAB9AKMT2ATSHRMEN1
SCHEMBL44745 0.80 HDAC6 (0.41) CYP19A1L3MBTL1
SCHEMBL44391 0.78 THRB (0.44) THRBKMT2ATSHRMAPT
SCHEMBL43747 0.76 NOTUM (0.53) NOTUMSMN1; SMN2TP53RAB9ANPC1
SCHEMBL96696 0.73 RAB9A (0.68) NOTUMSMN1; SMN2L3MBTL1TP53THRB
SCHEMBL3667489 0.72 F2RL3 (0.54) CYP19A1SMN1; SMN2TP53THRBRAB9A
SCHEMBL44365 0.72 NOTUM (0.50) NOTUMSMN1; SMN2L3MBTL1RAB9ANPC1

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