SCHEMBL8504367

SCHEMBL8504367

CCCCc1c(F)c(N2CC(N3C(=O)c4ccccc4C3=O)C2)cc2c1C(C(=O)NCC(F)(F)F)c1cc(F)ccc1-2

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.30

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
SCHEMBL8666046 0.94 L3MBTL1 (0.34) KCNA5TSHRKMT2AKDM4EALDH1A1
SCHEMBL8679135 0.93 L3MBTL1 (0.36) KCNA5TSHRKMT2AKDM4EALDH1A1
SCHEMBL8500944 0.85 MCHR1 (0.34) KMT2A
SCHEMBL8479387 0.84 RORC (0.36) ALDH1A1
SCHEMBL8665214 0.81 MCHR1 (0.37) —
SCHEMBL8480060 0.81 CCR3 (0.40) KMT2A
SCHEMBL8502233 0.75 GAA (0.34) KCNA5TSHRKDM4EALDH1A1PSEN1
SCHEMBL8504369 0.73 HTT (0.31) KCNA5L3MBTL1HTT
SCHEMBL8593680 0.73 POLB (0.42) KMT2AKDM4EALDH1A1PSEN1PSEN2
SCHEMBL8664324 0.71 NPY1R (0.35) PSEN1PSEN2APH1BNCSTNAPH1A

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
US-5885983-A ANTICHOLESTEROL AGENTS, ANTILIPOLYTIC AGENTS, ANTILIPEMIC AGENTS FOR TREATING HYPERLIPEMIA, ATHEROSCLEROSIS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-23 — — US disclosed
Send feedback