SCHEMBL9848126

SCHEMBL9848126

CN1NC(c2ccc(Cl)cc2)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ TNKS2 Q9H2K2 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.42
▸ SRD5A1 P18405 1/20 0.39
▸ LMNA P02545 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35

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
SCHEMBL10231026 0.66 ALDH1A1 (0.46) ALDH1A1TNKS2MEN1KMT2AMAPK1
SCHEMBL20794082 0.66 SRD5A1 (0.49) ALDH1A1KDM4ESRD5A1LMNATHRB
SCHEMBL15329200 0.65 LMNA (0.47) ALDH1A1TNKS2MEN1KMT2AMAPK1
SCHEMBL13567612 0.63 ALDH1A1 (0.44) ALDH1A1TNKS2MEN1KMT2AMAPK1
SCHEMBL13558823 0.62 ALDH1A1 (0.41) ALDH1A1KDM4ESRD5A1LMNATHRB
SCHEMBL29542599 0.62 DRD2 (0.42) KDM4ESRD5A1LMNATHRBAPEX1
SCHEMBL257093 0.61 TNKS2 (1.00) ALDH1A1TNKS2MEN1KMT2AMAPK1
SCHEMBL7110912 0.60 HTR3A (0.47) ALDH1A1TNKS2MEN1KMT2AMAPK1
SCHEMBL8442229 0.60 SLC6A3 (0.43) ALDH1A1TNKS2MEN1KMT2AMAPK1
SCHEMBL6400557 0.59 ALDH1A1 (0.41) ALDH1A1TNKS2MEN1KMT2AMAPK1

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
EP-0453846-A2 Aryloxycarbonyl compounds BAYER AG (DE) 1991-10-30 — — EP disclosed
Send feedback