SCHEMBL31411787

SCHEMBL31411787

CC1(C)C(=O)N(Cc2cc(F)cc(C(F)(F)F)c2)c2cc(C(=O)Nc3c[nH]c4ccccc34)sc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.44
STING1 Q86WV6 2/20 0.39
CFTR P13569 2/20 0.38
NTRK1 P04629 1/20 0.38
SRPK1 Q96SB4 2/20 0.37
CYP3A4 P08684 3/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
DHPS P49366 1/20 0.35
NAMPT P43490 1/20 0.35

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
SCHEMBL31411625 0.86 TP53 (0.46) STING1CFTRDHPS
SCHEMBL31411763 0.85 CFTR (0.40) TACR1STING1CFTRSRPK1DHPS
SCHEMBL31411662 0.82 TACR1 (0.42) TACR1STING1CFTRSRPK1
SCHEMBL31411812 0.82 DHPS (0.37) STING1CFTRTSHRALDH1A1DHPS
SCHEMBL31411615 0.82 DHPS (0.36) TACR1STING1CFTRTSHRALDH1A1
SCHEMBL31411605 0.81 TP53 (0.39) TACR1STING1CFTRTSHRALDH1A1
SCHEMBL31411530 0.79 CMA1 (0.38) STING1NTRK1CYP3A4TSHRKDM4E
SCHEMBL31411867 0.78 KCNN4 (0.46) NTRK1CYP3A4TSHRKDM4EALDH1A1
SCHEMBL31411797 0.78 KCNN4 (0.46) NTRK1CYP3A4TSHRKDM4EALDH1A1
SCHEMBL31411682 0.75 TACR1 (0.35) TACR1NTRK1SRPK1TSHRKDM4E

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