SCHEMBL25858165

SCHEMBL25858165

ClC[C@@H](Cl)c1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
IDO1 P14902 3/20 0.40
TDO2 P48775 1/20 0.40
MAPK1 P28482 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HIF1A Q16665 1/20 0.38
ADRA2C P18825 1/20 0.38
TSHR P16473 3/20 0.38
CYP3A4 P08684 3/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP19A1 P11511 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL9373403 1.00 TP53 (0.50) TP53LMNAHTTIDO1TDO2
SCHEMBL16371578 0.83 TP53 (0.47) TP53LMNAHTTIDO1TDO2
SCHEMBL1071628 0.83 TP53 (0.42) TP53LMNAHTTIDO1MAPK1
SCHEMBL20131003 0.81 TP53 (0.53) TP53LMNAHTTIDO1TDO2
SCHEMBL7460990 0.81 TP53 (0.48) TP53LMNAHTTIDO1TDO2
SCHEMBL4069342 0.81 TP53 (0.48) TP53LMNAHTTIDO1TDO2
SCHEMBL7456749 0.81 TP53 (0.48) TP53LMNAHTTIDO1TDO2
SCHEMBL7460986 0.77 ADRA2C (0.51) TP53LMNAHTTIDO1TDO2
SCHEMBL6212874 0.77 ADRA2C (0.51) TP53LMNAHTTIDO1TDO2
SCHEMBL29481560 0.77 ADRA2C (0.51) TP53LMNAHTTIDO1TDO2

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
WO-2023131969-A1 IMPROVED PROCESS FOR THE PREPARATION OF LULICONAZOLE KIMIA BIOSCIENCES LIMITED (IN) 2023-07-13 WO disclosed
CN-103044192-A Method for synthesizing luliconazole intermediate-(S)-2,4-dichloro-1-(1,2-dichloroethyl) benzene ASTATECH CHENGDU PHARMACEUTICAL CO LTD 2013-04-17 CN disclosed