SCHEMBL25377665

SCHEMBL25377665

CC(C)NCc1ccccc1C(F)(F)F.O=Cc1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 5/20 0.41
▸ PPARG P37231 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ SCN8A Q9UQD0 1/20 0.40
▸ TACR1 P25103 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ TNF P01375 1/20 0.38
▸ IL6 P05231 1/20 0.38
▸ POLB P06746 1/20 0.37

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
SCHEMBL800327 0.87 EPHX2 (0.46) EPHX2PPARGKDM4EALDH1A1SCN8A
SCHEMBL30482017 0.87 EPHX2 (0.46) EPHX2PPARGKDM4EALDH1A1SCN8A
SCHEMBL28170854 0.77 SCN8A (0.52) EPHX2PPARGKDM4EALDH1A1HTT
SCHEMBL67207 0.76 NFKB1 (0.57) ALDH1A1TDP1LMNANFKB1TNF
SCHEMBL29417728 0.76 NFKB1 (0.57) ALDH1A1TDP1LMNANFKB1TNF
Alcohol SCHEMBL27946760 0.74 NFKB1 (0.51) TDP1LMNASMN1; SMN2NFKB1TNF
SCHEMBL18893127 0.73 EPHX2 (0.44) EPHX2PPARGSCN8APOLB
SCHEMBL7592052 0.72 NFKB1 (0.41) ALDH1A1HTTTDP1LMNASMN1; SMN2
SCHEMBL8059946 0.72 IDO1 (0.44) KDM4EALDH1A1TDP1LMNANFKB1
SCHEMBL13208315 0.72 BCHE (0.45) ALDH1A1TDP1LMNAPOLB

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
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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