SCHEMBL5455033

SCHEMBL5455033

Cc1occc1C(=O)NC(=S)Nc1ccc(I)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
GAA P10253 5/20 0.60
PKM P14618 2/20 0.53
POLB P06746 1/20 0.53
MAPK1 P28482 1/20 0.51
ESR2 Q92731 1/20 0.51
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 2/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HPGD P15428 2/20 0.46

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 0.86 RAB9A (0.60) NPC1RAB9ASMN1; SMN2GAAPKM
SCHEMBL5446625 0.86 SMN1; SMN2 (0.60) NPC1RAB9ASMN1; SMN2GAAPKM
SCHEMBL5445865 0.84 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2GAAPKM
SCHEMBL5451777 0.84 ALDH1A1 (0.60) NPC1RAB9ASMN1; SMN2GAAPOLB
SCHEMBL5453400 0.83 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2GAAPKM
SCHEMBL14096064 0.79 GAA (0.53) NPC1RAB9ASMN1; SMN2GAAPOLB
SCHEMBL14096058 0.78 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL16358841 0.74 KMT2A (0.70) NPC1RAB9ASMN1; SMN2PKMPOLB
SCHEMBL5450048 0.74 RAB9A (0.62) NPC1RAB9ASMN1; SMN2GAAPOLB
SCHEMBL5448122 0.74 NPC1 (0.58) NPC1RAB9ASMN1; SMN2GAAPKM

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