SCHEMBL5454001

SCHEMBL5454001

Cc1occc1C(=O)NC(=S)Nc1cccc(Cl)c1Cl

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.59
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
MAPK1 P28482 1/20 0.53
ESR2 Q92731 1/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
GAA P10253 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
ALDH1A1 P00352 6/20 0.50
TP53 P04637 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.47

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
SCHEMBL5450048 0.80 RAB9A (0.62) POLBNPC1RAB9AMAPK1ESR2
SCHEMBL5446625 0.77 SMN1; SMN2 (0.60) POLBNPC1RAB9AKMT2AGAA
SCHEMBL5448122 0.75 NPC1 (0.58) POLBNPC1RAB9AMAPK1ESR2
Fenfuram SCHEMBL748512 0.74 MAPK1 (0.54) POLBNPC1RAB9AMAPK1ESR2
SCHEMBL5455033 0.72 NPC1 (0.60) POLBNPC1RAB9AMAPK1ESR2
SCHEMBL5449642 0.72 RAB9A (0.60) POLBNPC1RAB9AMAPK1ESR2
SCHEMBL238548 0.72 ALDH1A1 (0.66) POLBNPC1RAB9AMAPK1KMT2A
SCHEMBL11606847 0.71 POLB (0.86) POLBNPC1RAB9AMAPK1ESR2
SCHEMBL5445865 0.70 SMN1; SMN2 (0.57) POLBNPC1RAB9AGAASMN1; SMN2
SCHEMBL5451777 0.70 ALDH1A1 (0.60) POLBNPC1RAB9AMAPK1KMT2A

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