SCHEMBL540771

SCHEMBL540771

Fc1ccccc1CNCl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
MAPT P10636 2/20 0.50
ATM Q13315 1/20 0.50
PLA2G1B P04054 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
TAAR1 Q96RJ0 2/20 0.48
MPO P05164 2/20 0.47
GAA P10253 1/20 0.46
RECQL P46063 1/20 0.46
IDO1 P14902 1/20 0.45

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
SCHEMBL17089927 0.82 LMNA (0.52) LMNAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL23051031 0.82 TSHR (0.40) LMNAKMT2AMEN1CYP2C9CYP2C19
SCHEMBL6071681 0.80 MPO (0.60) LMNAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL11195911 0.76 LMNA (0.55) LMNAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL18901361 0.76 LMNA (0.55) LMNAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL6819 0.76 TAAR1 (0.63) LMNAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL4574091 0.76 LMNA (0.55) LMNAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL597128 0.76 LMNA (0.55) LMNAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL6896647 0.76 LMNA (0.55) LMNAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL30383094 0.76 LMNA (0.55) LMNAKMT2AMEN1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414346-A1 AUTOTAXIN INHIBITORS Merck Patent GmbH (DE) 2012-02-08 EP claimed
WO-2010112124-A1 AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2010-10-07 WO claimed
CN-116193878-A Amine halide salt doped carbon-based perovskite solar cell 河北工业大学 2023-05-30 CN disclosed
CN-109121414-A Benzopyrazole compounds and analogs thereof 拜奥克里斯特制药公司 2019-01-01 CN disclosed
CN-108024992-A Aryl, Heteroaryl and Heterocyclic Compounds for the Treatment of Medical Disorders 艾其林医药公司 2018-05-11 CN disclosed
CN-102753538-A Sultam derivatives HOFFMANN LA ROCHE 2012-10-24 CN disclosed