SCHEMBL10639336

SCHEMBL10639336

CC(=O)Nc1cc(C(=NNC(N)=S)C(C)=NO)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.51
▸ GAA P10253 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ ALOX12 P18054 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ CTSL P07711 1/20 0.39

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
SCHEMBL10639342 0.80 ALDH1A1 (0.58) ALDH1A1KDM4E
SCHEMBL10632586 0.77 ALDH1A1 (0.61) ALDH1A1ALOX12KDM4EEPHX1MAPK1
SCHEMBL10632577 0.77 ALDH1A1 (0.61) ALDH1A1ALOX12KDM4EEPHX1MAPK1
SCHEMBL10811234 0.77 CTSL (0.48) LMNACYP1A2CYP2C19CTSL
SCHEMBL10813077 0.75 CTSL (0.68) KDM4ECTSL
SCHEMBL10812209 0.73 CTSL (0.55) CTSL
SCHEMBL10808993 0.72 CTSL (0.51) ALDH1A1KDM4ECTSL
SCHEMBL10813148 0.72 CTSL (0.56) CTSL
SCHEMBL10812143 0.71 ATM (0.63) ALDH1A1GAACTSL
SCHEMBL10846055 0.71 CTSL (0.56) ALDH1A1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0123254-B1 TRIAZINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-06-22 — — EP disclosed
US-4618610-A Triazine derivatives, and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-21 — — US disclosed
EP-0123254-A1 Triazine derivatives, processes for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-31 — — EP disclosed
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