SCHEMBL23073991

SCHEMBL23073991

CC(C)c1ccc(C(=O)Nc2ccc(-c3ccc(N)cc3C(F)(F)F)c(C(F)(F)F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 5/20 0.53
▸ MAPT P10636 4/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ XBP1 P17861 1/20 0.48
▸ LMNA P02545 4/20 0.48
▸ POLB P06746 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ EGFR P00533 1/20 0.43

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
SCHEMBL25141363 0.92 PTGS1 (0.62) PTGS1MAPTMEN1KMT2ANPSR1
SCHEMBL25141316 0.90 PTGS1 (0.65) PTGS1MAPTMEN1KMT2ANPSR1
SCHEMBL29751959 0.90 PTGS1 (0.60) PTGS1MAPTMEN1KMT2ANPSR1
SCHEMBL24605877 0.90 PTGS1 (0.60) PTGS1MAPTMEN1KMT2ANPSR1
SCHEMBL16367720 0.89 PTGS1 (0.66) PTGS1MAPTMEN1KMT2ANPSR1
SCHEMBL25143905 0.89 PTGS1 (0.66) PTGS1MAPTMEN1KMT2ANPSR1
SCHEMBL22304526 0.88 PTGS1 (0.50) PTGS1MAPTMEN1KMT2ANPSR1
SCHEMBL23802496 0.87 NPC1 (0.65) PTGS1MAPTMEN1KMT2ANPSR1
SCHEMBL15445156 0.87 PTGS1 (0.56) PTGS1MAPTMEN1KMT2ANPSR1
SCHEMBL25141317 0.86 PTGS1 (0.56) PTGS1MAPTMEN1KMT2ANPSR1

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
EP-3789422-A1 POLYAMIDE RESIN, AND POLYMER FILM AND RESIN LAMINATE EACH USING SAME LG CHEM, LTD. (KR) 2021-03-10 — — EP disclosed
Send feedback