SCHEMBL10425977

SCHEMBL10425977

CNC(=NCCSCc1csc(CN(C)C)n1)NC#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.49
▸ BCHE P06276 1/20 0.47
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ HRH2 P25021 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CNR2 P34972 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ SLC22A2 O15244 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ ATP4A P20648 1/20 0.30
▸ APEX1 P27695 1/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ ATP4B P51164 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL10970044 0.90 ACHE (0.50) ACHEBCHECYP3A4CYP2D6HRH2
SCHEMBL10971171 0.89 ACHE (0.45) ACHEBCHECYP3A4CYP2D6HRH2
SCHEMBL11264146 0.88 ACHE (0.53) ACHEBCHECYP3A4CYP2D6HRH2
SCHEMBL10781080 0.88 ACHE (0.48) ACHEBCHECYP3A4CYP2D6HRH2
SCHEMBL10786658 0.86 ACHE (0.47) ACHEBCHECYP3A4CYP2D6HRH2
SCHEMBL11373933 0.84 CYP3A4 (0.47) ACHEBCHECYP3A4CYP2D6HRH2
SCHEMBL11373952 0.84 CYP3A4 (0.47) ACHEBCHECYP3A4CYP2D6HRH2
SCHEMBL11357840 0.84 CYP3A4 (0.47) ACHEBCHECYP3A4CYP2D6HRH2
SCHEMBL11360306 0.83 HRH2 (0.48) ACHEBCHECYP3A4CYP2D6HRH2
SCHEMBL11360304 0.83 HRH2 (0.48) ACHEBCHECYP3A4CYP2D6HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4760075-A Miticides ELI LILLY AND COMPANY (US) 1988-07-26 — — US claimed
EP-0049618-B1 IMPROVEMENTS IN OR RELATING TO 2,4-DISUBSTITUTED THIAZOLE DERIVATIVES ELI LILLY AND COMPANY (US) 1985-08-14 — — EP claimed
EP-0049618-A1 Improvements in or relating to 2,4-disubstituted thiazole derivatives ELI LILLY AND COMPANY (US) 1982-04-14 — — EP claimed
US-4904792-A N-thiazolymethylthioalkyl-N'-alkylamidines and related compounds ELI LILLY AND COMPANY (US) 1990-02-27 — — US disclosed
US-4760075-A Miticides ELI LILLY AND COMPANY (US) 1988-07-26 — — US disclosed
EP-0049618-B1 IMPROVEMENTS IN OR RELATING TO 2,4-DISUBSTITUTED THIAZOLE DERIVATIVES ELI LILLY AND COMPANY (US) 1985-08-14 — — EP disclosed
US-4382090-A N-Thiazolylmethylthioalkyl-N'alkylamidines and related compounds ELI LILLY AND COMPANY (US) 1983-05-03 — — US disclosed
US-4375547-A ANTIHISTAMINES, 'I RECEPTOR ANTAGONISTS, ANTISECRETORY AGENTS ELI LILLY AND COMPANY (US) 1983-03-01 — — US disclosed
EP-0049618-A1 Improvements in or relating to 2,4-disubstituted thiazole derivatives ELI LILLY AND COMPANY (US) 1982-04-14 — — EP disclosed
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