SCHEMBL29660949

SCHEMBL29660949

N#CCc1cc(F)c(Br)cc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.43
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ATP4A P20648 1/20 0.39
MAPK1 P28482 1/20 0.39
ATP4B P51164 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PTGER1 P34995 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOB P27338 2/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL22918085 1.00 KDM1A (0.43) KDM1AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL22918092 0.82 ELANE (0.47) KDM1APTGER1RAB9ASMN1; SMN2
SCHEMBL29661076 0.82 KDM1A (0.46) KDM1AMAPK1PTGER1RAB9ASMN1; SMN2
SCHEMBL22918273 0.82 KDM1A (0.46) KDM1AMAPK1PTGER1RAB9ASMN1; SMN2
SCHEMBL20521874 0.79 KDM1A (0.48) KDM1AMAPK1PTGER1RAB9ASMN1; SMN2
SCHEMBL30221893 0.79 KDM1A (0.48) KDM1AMAPK1PTGER1RAB9ASMN1; SMN2
SCHEMBL31482951 0.79 L3MBTL1 (0.48) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1668610 0.79 CCR5 (0.58) CYP1A2PTGER1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL22357315 0.79 L3MBTL1 (0.48) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28104163 0.79 FFAR1 (0.45) KDM1AMEN1CYP1A2CYP3A4CYP2D6

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-114616226-B Pyridine derivatives as TMEM16A modulators for the treatment of respiratory disorders TMEM16A有限公司 2025-03-04 CN disclosed
CN-114616226-A Pyridine derivatives as TMEM16A modulators for the treatment of respiratory disorders TMEM16A有限公司 2022-06-10 CN disclosed
EP-4003516-A1 PYRIDINE DERIVATIVES AS TMEM16A MODULATORS FOR USE IN THE TREATMENT OF RESPIRATORY CONDITIONS TMEM16A LIMITED (GB) 2022-06-01 EP disclosed