SCHEMBL5452992

SCHEMBL5452992

O=C(NC(=S)Nc1ccccc1Cl)c1ccc(Cl)cc1Cl

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.81
RAB9A P51151 6/20 0.81
GAA P10253 5/20 0.81
NPC1 O15118 5/20 0.81
MAPT P10636 4/20 0.81
KMT2A Q03164 4/20 0.81
MEN1 O00255 2/20 0.81
MAPK1 P28482 1/20 0.81
CCR6 P51684 1/20 0.81
SMN1; SMN2 Q16637 3/20 0.63
POLB P06746 1/20 0.63
EPHX1 P07099 1/20 0.61
HTT P42858 3/20 0.58
KDM4E B2RXH2 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
LMNA P02545 2/20 0.58
TP53 P04637 1/20 0.58
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57

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
SCHEMBL11921406 0.88 ALDH1A1 (0.74) ALDH1A1RAB9AGAANPC1MAPT
SCHEMBL5448004 0.86 ALDH1A1 (0.72) ALDH1A1RAB9AGAANPC1MAPT
SCHEMBL9901505 0.85 CYP2C19 (0.72) ALDH1A1RAB9AGAANPC1MAPT
SCHEMBL5442280 0.81 CA1 (0.76) ALDH1A1RAB9AGAANPC1MAPT
SCHEMBL3044660 0.81 EPHX1 (0.69) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL27232945 0.81 RAB9A (0.76) ALDH1A1RAB9AGAANPC1MAPT
SCHEMBL5447995 0.80 MAPT (0.68) ALDH1A1RAB9AGAANPC1MAPT
SCHEMBL14096348 0.80 NPC1 (0.55) ALDH1A1RAB9AGAANPC1MAPT
SCHEMBL5450582 0.80 ALDH1A1 (0.66) ALDH1A1RAB9AGAANPC1MAPT
SCHEMBL14096510 0.80 ALDH1A1 (1.00) ALDH1A1RAB9AGAANPC1MAPT

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