SCHEMBL27346458

SCHEMBL27346458

Cc1nc(C(F)(F)F)ccc1S(=O)(=O)N1C[C@H]2CN(C3CCOCC3)C[C@@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.41
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS2 P35354 2/20 0.36
KCNH2 Q12809 2/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD11B1 P28845 2/20 0.34
PTGS1 P23219 1/20 0.34
PKM P14618 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
DDR1 Q08345 3/20 0.34

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
SCHEMBL30719489 1.00 TRPV4 (0.41) TRPV4PSEN1PSEN2APH1BNCSTN
SCHEMBL30719488 1.00 TRPV4 (0.41) TRPV4PSEN1PSEN2APH1BNCSTN
SCHEMBL27346363 1.00 TRPV4 (0.41) TRPV4PSEN1PSEN2APH1BNCSTN
SCHEMBL30719538 1.00 TRPV4 (0.41) TRPV4PSEN1PSEN2APH1BNCSTN
SCHEMBL30719505 1.00 TRPV4 (0.41) TRPV4PSEN1PSEN2APH1BNCSTN
SCHEMBL27346524 1.00 TRPV4 (0.41) TRPV4PSEN1PSEN2APH1BNCSTN
SCHEMBL26064898 0.89 MEN1 (0.43) TRPV4MEN1KMT2AKDM4EALDH1A1
SCHEMBL25370762 0.86 TRPV4 (0.41) TRPV4PSEN1PSEN2APH1BNCSTN
SCHEMBL30719511 0.84 TRPV4 (0.41) TRPV4PSEN1PSEN2APH1BNCSTN
SCHEMBL30719498 0.84 TRPV4 (0.41) TRPV4KDM4ESMN1; SMN2HSD11B1NR1H2

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-2024015503-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2024-01-18 WO disclosed