SCHEMBL5465288

SCHEMBL5465288

COc1cccc(NC(=S)NC(=O)c2ccccc2C)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.70
MAPT P10636 6/20 0.70
KMT2A Q03164 4/20 0.70
HTT P42858 2/20 0.70
MEN1 O00255 1/20 0.70
RAB9A P51151 4/20 0.67
NPC1 O15118 3/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
POLB P06746 2/20 0.60
KCNK3 O14649 1/20 0.60
KCNK9 Q9NPC2 1/20 0.60
ALOX12 P18054 3/20 0.59
NPSR1 Q6W5P4 1/20 0.59
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
KDM4E B2RXH2 1/20 0.58
CA1 P00915 1/20 0.57
CA2 P00918 1/20 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
SCHEMBL4436642 0.87 KCNK3 (0.77) ALDH1A1MAPTKMT2ARAB9ANPC1
SCHEMBL1514749 0.85 RAB9A (0.65) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL24769827 0.83 RAB9A (0.74) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL14096619 0.83 RAB9A (0.78) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL5455495 0.82 ALDH1A1 (0.72) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL14825211 0.82 ALDH1A1 (0.73) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL5452725 0.82 ALDH1A1 (0.73) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL14808084 0.81 ALDH1A1 (0.70) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL1337480 0.79 KCNK3 (0.65) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL19337844 0.78 SMO (0.79) ALDH1A1MAPTKMT2AHTTMEN1

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