SCHEMBL29196353

SCHEMBL29196353

CONCc1ccc(C(F)(F)F)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNQ4 P56696 1/20 0.43
KCNQ5 Q9NR82 1/20 0.43
TRPV4 Q9HBA0 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 1/20 0.40
DAO P14920 2/20 0.40
TRPV3 Q8NET8 1/20 0.39
NAMPT P43490 1/20 0.39
PPARD Q03181 1/20 0.39
TKT P29401 1/20 0.39
CYP2C9 P11712 1/20 0.38
CSF1R P07333 2/20 0.38
KIT P10721 2/20 0.38
CNR1 P21554 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
SCHEMBL30887515 1.00 KDM1A (0.47) KDM1AMAOAMAOBKCNQ3KCNQ2
SCHEMBL30887521 0.84 KDM1A (0.45) KDM1AMAOAMAOBKCNQ3KCNQ2
SCHEMBL29196346 0.84 KDM1A (0.45) KDM1AMAOAMAOBKCNQ3KCNQ2
SCHEMBL297140 0.81 KDM1A (0.50) KDM1AMAOAMAOBKCNQ3KCNQ2
SCHEMBL14614919 0.79 KDM1A (0.49) KDM1AMAOAMAOBKCNQ3KCNQ2
SCHEMBL3842664 0.78 KDM1A (0.48) KDM1AMAOAMAOBKCNQ3KCNQ2
SCHEMBL13061262 0.78 KDM1A (0.48) KDM1AMAOAMAOBKCNQ3KCNQ2
SCHEMBL1145551 0.77 TRPV4 (0.47) KDM1AMAOAMAOBKCNQ3KCNQ2
SCHEMBL6245504 0.77 KDM1A (0.50) KDM1AMAOAMAOBKCNQ3KCNQ2
SCHEMBL29196317 0.77 CYP11B1 (0.39) CYP3A4CYP2C19CSF1RCNR1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924277-A Oxime ether compound and preparation method, pharmaceutical composition and application thereof 中国药科大学 2024-04-26 CN disclosed