SCHEMBL11267255

SCHEMBL11267255

COC(=O)Cc1cccc(Cl)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TTR P02766 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
CYP2C9 P11712 1/20 0.42
TBXA2R P21731 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
SLC7A5 Q01650 1/20 0.39
CFD P00746 1/20 0.39
AKR1B10 O60218 1/20 0.39

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
SCHEMBL1626544 0.84 PNMT (0.48) SMN1; SMN2KDM4ETTRUSP2LMNA
SCHEMBL28842276 0.83 ALDH1A1 (0.46) KDM4EALDH1A1GAAGFERHPGD
SCHEMBL16410217 0.83 MTNR1A (0.43) TTRUSP2LMNACYP2C9TBXA2R
SCHEMBL29498164 0.82 NPC1 (0.52) SMN1; SMN2KDM4ETTRUSP2LMNA
SCHEMBL872658 0.82 NPC1 (0.52) SMN1; SMN2KDM4ETTRUSP2LMNA
SCHEMBL16112452 0.81 ALDH1A1 (0.46) SMN1; SMN2KDM4ETTRUSP2LMNA
SCHEMBL17398610 0.80 SMN1; SMN2 (0.47) SMN1; SMN2KDM4ETTRUSP2LMNA
SCHEMBL30296851 0.80 SMN1; SMN2 (0.47) SMN1; SMN2KDM4ETTRUSP2LMNA
SCHEMBL16397052 0.79 AKR1B1 (0.57) TTRLMNACYP2C9HPGDAKR1B10
SCHEMBL31619490 0.79 SMN1; SMN2 (0.49) SMN1; SMN2KDM4ETTRUSP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55130954-A None JP disclosed
US-4337357-A 1,4-BENZOTHIAZINE INTERMEDIATES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-06-29 US disclosed
US-4268301-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-05-19 US disclosed
JP-S55130954-A PHENYLTHIOACETIC ACID ESTER DERIVATIVE, ITS PREPARATION, AND HERBICIDE CONTAINING SAID COMPOUND AS EFFECTIVE COMPONENT SUMITOMO CHEM CO LTD 1980-10-11 JP disclosed