SCHEMBL10917876

SCHEMBL10917876

CC(C)OC(=O)c1cc(N=C=S)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
CA12 O43570 6/20 0.40
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
CA7 P43166 6/20 0.40
CA9 Q16790 6/20 0.40
CA14 Q9ULX7 6/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAPT P10636 4/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 3/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 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
SCHEMBL8929753 0.87 MAPK1 (0.50) ALDH1A1LMNAPOLBCA12CA1
SCHEMBL10915365 0.84 MEN1 (0.46) ALDH1A1LMNAPOLBMAPTKDM4E
SCHEMBL10989643 0.83 CA1 (0.40) ALDH1A1LMNAPOLBCA12CA1
SCHEMBL10917035 0.78 ALDH1A1 (0.47) ALDH1A1LMNASLC6A2KDM4ETDP1
SCHEMBL9041850 0.78 HPGD (0.33) ALDH1A1LMNAPOLBKDM4ETDP1
SCHEMBL9858564 0.76 MAPK1 (0.50) ALDH1A1LMNAPOLBCA12CA1
SCHEMBL10471483 0.76 LMNA (0.40) ALDH1A1LMNAPOLBCA12CA1
SCHEMBL12900898 0.76 ALDH1A1 (0.53) ALDH1A1LMNAPOLBCA12CA1
SCHEMBL1274929 0.73 ALDH1A1 (0.51) ALDH1A1LMNAPOLBCA12CA1
SCHEMBL9430928 0.73 TSHR (0.42) ALDH1A1MAPTKDM4EMAPK1TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0104532-B1 O-HALOBENZOIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION, HERBICIDAL COMPOSITIONS AND THEIR USE Nippon Kayaku Kabushiki Kaisha (JP) 1986-12-03 EP disclosed
US-4531964-A Heterocyclic compound and a herbicidal composition containing said compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1985-07-30 US disclosed
EP-0104532-A1 O-Halobenzoic acid derivatives, process for their preparation, herbicidal compositions and their use Nippon Kayaku Kabushiki Kaisha (JP) 1984-04-04 EP disclosed