SCHEMBL9041850

SCHEMBL9041850

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.33
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL9040757 0.81 HPGD (0.37) HPGDKDM4EUSP2CYP4F2CYP4A11
SCHEMBL25286184 0.78 CYP4F2 (0.43) HPGDUSP2TSHRTDP1CYP4F2
SCHEMBL25242327 0.78 CYP4F2 (0.43) HPGDUSP2TSHRTDP1CYP4F2
SCHEMBL10917876 0.78 ALDH1A1 (0.45) HPGDKDM4ETDP1KMT2AALDH1A1
SCHEMBL9118279 0.78 KDM4E (0.33) HPGDKDM4ETSHRCYP4F2CYP4A11
SCHEMBL10915365 0.71 MEN1 (0.46) HPGDKDM4ETSHRTDP1L3MBTL1
SCHEMBL10917035 0.71 ALDH1A1 (0.47) HPGDKDM4ETSHRTDP1L3MBTL1
SCHEMBL9118826 0.69 NPSR1 (0.35) HPGDKDM4EUSP2KMT2AALDH1A1
SCHEMBL9039924 0.69 KMT2A (0.34) HPGDKDM4EUSP2TSHRL3MBTL1
SCHEMBL30987212 0.68 CYP4F2 (0.41) HPGDKDM4ETSHRTDP1CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741733-A1 PHENYLIMINO-THIADIAZABICYCLOALKANE DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES Novartis AG (CH) 1996-11-13 EP disclosed
WO-1995021174-A1 PHENYLIMINO-THIADIAZABICYCLOALKANE DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES CIBA-GEIGY AG (CH) 1995-08-10 WO disclosed