SCHEMBL31411682

SCHEMBL31411682

O=C(Nc1c[nH]c2ccc(F)cc12)c1cc2c(s1)SCC(=O)N2Cc1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.35
KCNN4 O15554 4/20 0.34
WDR5 P61964 2/20 0.33
TP53 P04637 1/20 0.32
SRPK1 Q96SB4 1/20 0.32
SNCA P37840 1/20 0.32
MAPT P10636 1/20 0.32
CLK1 P49759 1/20 0.32
KMT2A Q03164 1/20 0.32
NTRK1 P04629 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL31411668 0.93 TP53 (0.36) TACR1KCNN4TP53SNCAMAPT
SCHEMBL31411662 0.92 TACR1 (0.42) TACR1KCNN4SRPK1
SCHEMBL31411770 0.92 KCNN4 (0.33) TACR1KCNN4NTRK1
SCHEMBL31411775 0.85 TP53 (0.33) TP53SRPK1SNCAMAPTKMT2A
SCHEMBL31411708 0.81 ALDH1A1 (0.41) TP53MAPTKMT2AKDM4E
SCHEMBL31411667 0.78 KCNN4 (0.42) KCNN4TP53MAPTKMT2AGAA
SCHEMBL31411822 0.78 SIRT2 (0.39) TP53MAPTKMT2AKDM4E
SCHEMBL31411562 0.77 KCNN4 (0.51) KCNN4TP53MAPTTSHR
SCHEMBL31411624 0.75 DHPS (0.35) WDR5KMT2A
SCHEMBL31411573 0.74 CFTR (0.34) SRPK1MAPT

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
CN-119330982-A Azetidine compound and medical application thereof 中国科学院上海药物研究所 2025-01-21 CN disclosed