SCHEMBL28146708

SCHEMBL28146708

O=C(Cl)c1cc(C2CC2)cc(OCc2ccccc2)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 3/20 0.46
▸ FAAH O00519 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ SGMS2 Q8NHU3 1/20 0.42
▸ APP P05067 1/20 0.42
▸ KDM1A O60341 3/20 0.41
▸ S1PR5 Q9H228 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.41
▸ FOLH1 Q04609 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40

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
SCHEMBL17423083 0.79 SCN7A (0.51) MRGPRX4NPC1S1PR5HTR1ASLC6A2
SCHEMBL15669058 0.74 MRGPRX4 (0.74) MRGPRX4MEN1KMT2ANPC1APP
SCHEMBL9706350 0.74 L3MBTL1 (0.49) MRGPRX4ALDH1A1NPC1SGMS2KDM1A
SCHEMBL341109 0.72 SGMS2 (0.62) FAAHCNR1CNR2MEN1KMT2A
SCHEMBL28551712 0.72 FOLH1 (0.54) MRGPRX4MEN1KMT2AALDH1A1NPC1
SCHEMBL19196780 0.70 LRRK2 (0.54) MRGPRX4MEN1KMT2AALDH1A1SGMS2
SCHEMBL4939266 0.70 MAOB (0.60) MEN1KMT2AALDH1A1NPC1MCL1
SCHEMBL15129536 0.70 FOLH1 (0.55) MRGPRX4MEN1KMT2AALDH1A1NPC1
SCHEMBL4437175 0.69 RXRA (0.52) NPC1FOLH1MCL1MAPTL3MBTL1
SCHEMBL8658870 0.69 MAOB (0.55) MEN1KMT2AALDH1A1NPC1FOLH1

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-106715418-A Therapeutic compounds and methods of use thereof 基因泰克公司 2017-05-24 — — CN disclosed
Send feedback