SCHEMBL5453211

SCHEMBL5453211

O=C(NC(=S)Nc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.72
KDM4E B2RXH2 3/20 0.72
MITF O75030 1/20 0.65
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
MAPT P10636 2/20 0.64
ALOX12 P18054 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
LMNA P02545 1/20 0.64
HTT P42858 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
EPHX1 P07099 2/20 0.59
HPGD P15428 1/20 0.59
KCNH2 Q12809 1/20 0.59
DEGS1 O15121 1/20 0.57
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
NR1H4 Q96RI1 1/20 0.55
MMP3 P08254 1/20 0.54
HDAC8 Q9BY41 1/20 0.54

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
SCHEMBL3054964 0.92 ALDH1A1 (0.66) ALDH1A1KDM4EMITFMEN1KMT2A
SCHEMBL5443694 0.89 MITF (0.63) ALDH1A1KDM4EMITFMEN1KMT2A
SCHEMBL5450344 0.86 ALDH1A1 (0.63) ALDH1A1KDM4EMITFMEN1KMT2A
SCHEMBL5445792 0.86 ALDH1A1 (0.65) ALDH1A1KDM4EMITFMEN1KMT2A
SCHEMBL31150345 0.84 DEGS1 (0.78) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL368228 0.84 DEGS1 (0.78) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL1514749 0.83 RAB9A (0.65) ALDH1A1KDM4EMITFMEN1KMT2A
SCHEMBL5453761 0.82 KMT2A (0.78) ALDH1A1KDM4EMITFMEN1KMT2A
SCHEMBL21588676 0.81 MITF (0.58) ALDH1A1KDM4EMITFMEN1KMT2A
SCHEMBL1605906 0.80 HDAC8 (0.74) ALDH1A1KDM4EMEN1KMT2AMAPT

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