SCHEMBL21781874

SCHEMBL21781874

NCC(=O)NCc1ccc(N)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
TPSAB1 Q15661 6/20 0.60
AOC3 Q16853 2/20 0.51
EPHX2 P34913 1/20 0.50
PPID Q08752 3/20 0.49
EPHX1 P07099 1/20 0.49
PPIB P23284 1/20 0.47
PPIA P62937 1/20 0.47
PPIG Q13427 1/20 0.47
PRSS1 P07477 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.46
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45

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
SCHEMBL23571643 0.86 TPSAB1 (0.81) CA1CA2TPSAB1AOC3PRSS1
SCHEMBL15808530 0.84 CA2 (0.64) CA1CA2TPSAB1AOC3PRSS1
SCHEMBL18868428 0.84 ALDH1A1 (0.61) CA1CA2TPSAB1LMNA
SCHEMBL6896194 0.82 TPSAB1 (0.58) CA1CA2TPSAB1EPHX2PPID
SCHEMBL3517253 0.82 TPSAB1 (0.53) CA1CA2TPSAB1EPHX2PPID
SCHEMBL15651444 0.82 PPID (0.54) TPSAB1EPHX2PPIDEPHX1PPIB
SCHEMBL7753239 0.82 TPSAB1 (0.53) CA1CA2TPSAB1EPHX2PPID
SCHEMBL19932336 0.82 CA1 (0.62) CA1CA2TPSAB1AOC3PRSS1
SCHEMBL15584889 0.82 CA1 (0.62) CA1CA2TPSAB1AOC3PRSS1
SCHEMBL1274285 0.82 LMNA (0.68) CA1CA2TPSAB1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4130014-A1 DEUTERATED OXOPHENYLARSINE COMPOUND AND USE THEREOF Nuo-Beta Pharmaceutical Technology (Shanghai) Co., Ltd. (CN) 2023-02-08 EP disclosed
EP-3617221-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME, AND PREPARATION METHOD THEREFOR Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 EP disclosed