SCHEMBL13449297

SCHEMBL13449297

CCOc1cc(C=O)ccc1NC(=O)c1cc(F)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
MRGPRX1 Q96LB2 10/20 0.53
TSPO P30536 1/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
AVPR2 P30518 1/20 0.46
AVPR1A P37288 1/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
KCNMA1 Q12791 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43

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
SCHEMBL13449296 0.88 ALDH1A1 (0.54) MAPTKMT2AALDH1A1GAAMEN1
SCHEMBL8435221 0.74 PYGL (0.58) MAPTMRGPRX1KMT2AALDH1A1GAA
SCHEMBL15589735 0.73 ANO1 (0.41) MAPTAVPR2AVPR1AKMT2AGAA
SCHEMBL26840813 0.73 ALDH1A1 (0.55) MAPTALDH1A1GAAL3MBTL1MAPK1
SCHEMBL1121447 0.72 ALDH1A1 (0.65) MAPTALDH1A1L3MBTL1TSHR
SCHEMBL26840803 0.72 ALDH1A1 (0.54) MAPTKMT2AALDH1A1GAAL3MBTL1
SCHEMBL3138705 0.70 PYGL (0.57) MAPTHDAC1HDAC8HDAC6AVPR2
SCHEMBL3135239 0.70 PYGL (0.69) MAPTHDAC8AVPR2AVPR1AKMT2A
SCHEMBL3134272 0.70 ALDH1A1 (0.58) MAPTHDAC8AVPR2AVPR1AKMT2A
SCHEMBL17535846 0.70 ALDH1A1 (0.58) MAPTKMT2AALDH1A1GAAL3MBTL1

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-7687494-B2 Substituted spirobenzazepines JANSSEN PHARMACEUTICA NV (BE) 2010-03-30 US disclosed