SCHEMBL5452880

SCHEMBL5452880

O=C(NC(=S)NCc1ccco1)c1ccccc1Br

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.80
ALPI P09923 1/20 0.80
ALPG P10696 1/20 0.80
POLB P06746 4/20 0.76
HPGD P15428 2/20 0.76
HTT P42858 2/20 0.76
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
ALDH1A1 P00352 6/20 0.60
MAPT P10636 2/20 0.59
KDM4E B2RXH2 1/20 0.59
LMNA P02545 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.56
RAB9A P51151 1/20 0.56
ALOX12 P18054 1/20 0.56

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
SCHEMBL31092083 0.86 HPGD (1.00) ALPLALPIALPGPOLBHPGD
SCHEMBL14096474 0.85 POLB (0.63) ALPLALPIALPGPOLBHPGD
SCHEMBL5458075 0.85 ALDH1A1 (0.67) ALPLALPIALPGPOLBHPGD
SCHEMBL5449585 0.80 ALDH1A1 (0.67) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL29484167 0.76 KMT2A (0.67) POLBHTTMEN1KMT2AALDH1A1
SCHEMBL14096469 0.75 ALDH1A1 (1.00) POLBHPGDMEN1KMT2AALDH1A1
SCHEMBL14096468 0.75 ALDH1A1 (0.77) POLBHPGDHTTMEN1KMT2A
SCHEMBL5448009 0.75 KMT2A (0.79) POLBHPGDHTTMEN1KMT2A
SCHEMBL30639163 0.72 HPGD (1.00) POLBHPGDHTTKMT2AALDH1A1
SCHEMBL5455377 0.72 ALDH1A1 (0.70) POLBHTTMEN1KMT2AALDH1A1

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