SCHEMBL28295059

SCHEMBL28295059

CCOc1ccc(F)[c]c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
KDM1A O60341 2/20 0.35
MAPT P10636 2/20 0.35
ATM Q13315 2/20 0.35
RORC P51449 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LARS1 Q9P2J5 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
NQO1 P15559 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33

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
SCHEMBL1010773 0.80 MAPT (0.39) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL1761774 0.78 RAB9A (0.38) MAPTRAB9AALDH1A1KDM4EGAA
SCHEMBL4404616 0.77 MAPT (0.37) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL14829430 0.75 MAPT (0.43) L3MBTL1TDP1HPGDKDM1AMAPT
SCHEMBL17527769 0.71 L3MBTL1 (0.48) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL18526972 0.71 EGFR (0.47) L3MBTL1CYP1A2CYP2D6CYP2C19MAPT
SCHEMBL4405889 0.70 ALDH1A1 (0.37) CYP1A2CYP2C19HPGDTSHRKDM1A
SCHEMBL4551089 0.69 KDM4E (0.41) CYP1A2CYP2C19TDP1TSHRMAPT
SCHEMBL4398114 0.69 KDM4E (0.41) L3MBTL1CYP1A2CYP2C19HPGDTSHR
SCHEMBL15063563 0.68 NQO1 (0.36) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1

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
CN-110028491-A Fibroblast growth factor receptor inhibitor 蓝图药品公司 2019-07-19 CN disclosed
CN-105658642-B Fibroblast growth factor receptor inhibitors 蓝图药品公司 2019-05-03 CN disclosed
CN-105658642-A Fibroblast growth factor receptor inhibitors 蓝图药品公司 2016-06-08 CN disclosed