SCHEMBL29590313

SCHEMBL29590313

O=C(Nc1ccc(F)cc1)Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCCC4)nc3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.48
▸ CNR1 P21554 5/20 0.48
▸ TP53 P04637 5/20 0.46
▸ KCNQ3 O43525 1/20 0.46
▸ KCNQ2 O43526 1/20 0.46
▸ HDAC3 O15379 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ PIK3CA P42336 2/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 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
SCHEMBL14783015 1.00 MAPT (0.48) MAPTCNR1TP53KCNQ3KCNQ2
SCHEMBL14784252 0.94 KCNQ3 (0.49) MAPTCNR1TP53KCNQ3KCNQ2
SCHEMBL29590104 0.94 KCNQ3 (0.49) MAPTCNR1TP53KCNQ3KCNQ2
SCHEMBL14783333 0.92 HDAC3 (0.53) MAPTCNR1TP53HDAC3HDAC2
SCHEMBL14784050 0.92 MTOR (0.51) MAPTTP53KCNQ3KCNQ2HDAC3
SCHEMBL29590344 0.92 MTOR (0.51) MAPTTP53KCNQ3KCNQ2HDAC3
SCHEMBL29591540 0.92 HDAC3 (0.53) MAPTCNR1TP53HDAC3HDAC2
SCHEMBL29592165 0.92 MAPT (0.46) MAPTCNR1TP53KCNQ3KCNQ2
SCHEMBL14783339 0.92 MAPT (0.46) MAPTCNR1TP53KCNQ3KCNQ2
SCHEMBL14783460 0.91 MAPT (0.44) MAPTCNR1TP53KCNQ3KCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403531-A Chemical entities, compositions, and methods as kinase inhibitors 润新生物公司 2022-11-29 — — CN disclosed
CN-108794411-B Certain chemical entities, compositions, and methods 润新生物公司 2022-06-07 — — CN disclosed
Send feedback