SCHEMBL5449642

SCHEMBL5449642

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
NPC1 O15118 4/20 0.60
GAA P10253 2/20 0.60
ALDH1A1 P00352 5/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
ALOX12 P18054 1/20 0.52
HTT P42858 1/20 0.52
POLB P06746 2/20 0.50
PKM P14618 1/20 0.50
KDM4E B2RXH2 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPK1 P28482 2/20 0.48
MAPT P10636 2/20 0.48
STAT1 P42224 1/20 0.48
ESR2 Q92731 1/20 0.48

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
SCHEMBL5446625 0.86 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2NPC1GAAALDH1A1
SCHEMBL5455033 0.86 NPC1 (0.60) RAB9ASMN1; SMN2NPC1GAAALDH1A1
SCHEMBL5453400 0.86 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2NPC1GAAALDH1A1
SCHEMBL5445865 0.84 SMN1; SMN2 (0.57) RAB9ASMN1; SMN2NPC1GAAALDH1A1
SCHEMBL5451777 0.84 ALDH1A1 (0.60) RAB9ASMN1; SMN2NPC1GAAALDH1A1
SCHEMBL5449907 0.81 ALDH1A1 (0.52) RAB9ASMN1; SMN2NPC1GAAALDH1A1
SCHEMBL14096064 0.79 GAA (0.53) RAB9ASMN1; SMN2NPC1GAAALDH1A1
SCHEMBL5450048 0.79 RAB9A (0.62) RAB9ASMN1; SMN2NPC1GAAALDH1A1
SCHEMBL14096058 0.78 SMN1; SMN2 (0.57) RAB9ASMN1; SMN2NPC1GAAALDH1A1
SCHEMBL14096062 0.76 RAB9A (0.60) RAB9ASMN1; SMN2NPC1GAAALDH1A1

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