SCHEMBL5457318

SCHEMBL5457318

COc1ccc(NC(=S)Nc2ccccn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 1.00
NPC1 O15118 6/20 1.00
KMT2A Q03164 5/20 1.00
NPSR1 Q6W5P4 5/20 1.00
LMNA P02545 3/20 0.77
ALOX12 P18054 3/20 0.77
SMN1; SMN2 Q16637 4/20 0.69
ALDH1A1 P00352 4/20 0.67
MEN1 O00255 2/20 0.67
GAA P10253 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2C19 P33261 1/20 0.67
MAPT P10636 4/20 0.66
PKM P14618 1/20 0.64
HTT P42858 2/20 0.61
F2 P00734 1/20 0.59
KDM4E B2RXH2 1/20 0.58
STAT1 P42224 1/20 0.58

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
SCHEMBL5456563 0.86 RAB9A (0.75) RAB9ANPC1KMT2ANPSR1LMNA
SCHEMBL11173864 0.83 RAB9A (0.75) RAB9ANPC1KMT2ANPSR1LMNA
SCHEMBL2634977 0.82 SMN1; SMN2 (0.87) RAB9ANPC1KMT2ANPSR1LMNA
SCHEMBL25404786 0.82 ALOX12 (0.72) RAB9ANPC1KMT2ANPSR1LMNA
SCHEMBL1259295 0.81 CYP1A2 (1.00) RAB9ANPC1KMT2ANPSR1SMN1; SMN2
SCHEMBL2682040 0.80 RAB9A (0.71) RAB9ANPC1KMT2ANPSR1LMNA
SCHEMBL8167087 0.80 CYP1A2 (0.85) RAB9ANPC1KMT2ANPSR1LMNA
SCHEMBL8341613 0.80 KMT2A (0.72) RAB9ANPC1KMT2ANPSR1LMNA
SCHEMBL6816405 0.80 SMN1; SMN2 (0.72) RAB9ANPC1KMT2ANPSR1LMNA
SCHEMBL5456937 0.80 SMN1; SMN2 (0.72) RAB9ANPC1KMT2ANPSR1LMNA

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