SCHEMBL5451777

SCHEMBL5451777

COc1ccc(NC(=S)NC(=O)c2ccoc2C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
RAB9A P51151 6/20 0.60
SMN1; SMN2 Q16637 4/20 0.59
GAA P10253 2/20 0.59
NPC1 O15118 4/20 0.57
KMT2A Q03164 6/20 0.56
MEN1 O00255 4/20 0.56
MAPT P10636 5/20 0.55
KDM4E B2RXH2 1/20 0.55
USP2 O75604 1/20 0.55
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52
MAPK1 P28482 2/20 0.51
RECQL P46063 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL5449642 0.84 RAB9A (0.60) ALDH1A1RAB9ASMN1; SMN2GAANPC1
SCHEMBL5455033 0.84 NPC1 (0.60) ALDH1A1RAB9ASMN1; SMN2GAANPC1
SCHEMBL5446625 0.84 SMN1; SMN2 (0.60) ALDH1A1RAB9ASMN1; SMN2GAANPC1
SCHEMBL14096058 0.83 SMN1; SMN2 (0.57) ALDH1A1RAB9ASMN1; SMN2GAANPC1
SCHEMBL5445865 0.82 SMN1; SMN2 (0.57) ALDH1A1RAB9ASMN1; SMN2GAANPC1
SCHEMBL5453400 0.81 SMN1; SMN2 (0.56) ALDH1A1RAB9ASMN1; SMN2GAANPC1
SCHEMBL14096454 0.78 MAPT (0.76) ALDH1A1RAB9ASMN1; SMN2GAANPC1
SCHEMBL16587385 0.78 ALDH1A1 (0.78) ALDH1A1RAB9ASMN1; SMN2GAANPC1
SCHEMBL14096064 0.77 GAA (0.53) ALDH1A1RAB9ASMN1; SMN2GAANPC1
SCHEMBL14096062 0.76 RAB9A (0.60) ALDH1A1RAB9ASMN1; SMN2GAANPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed