SCHEMBL10012951

SCHEMBL10012951

CCCCc1nnc(S)n1N

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
HPGD P15428 3/20 0.40
LMNA P02545 2/20 0.40
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.33
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTT P42858 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
SCHEMBL9222262 0.92 ALDH1A1 (0.49) ALDH1A1HPGDLMNAATMSMN1; SMN2
SCHEMBL6741751 0.92 ALDH1A1 (0.49) ALDH1A1HPGDLMNAATMSMN1; SMN2
SCHEMBL8062006 0.92 ALDH1A1 (0.49) ALDH1A1HPGDLMNAATMSMN1; SMN2
SCHEMBL11808356 0.92 ALDH1A1 (0.49) ALDH1A1HPGDLMNAATMSMN1; SMN2
SCHEMBL11805405 0.92 ALDH1A1 (0.49) ALDH1A1HPGDLMNAATMSMN1; SMN2
SCHEMBL9677868 0.92 ALDH1A1 (0.49) ALDH1A1HPGDLMNAATMSMN1; SMN2
SCHEMBL11184553 0.88 ALDH1A1 (0.42) ALDH1A1HPGDLMNATSHRKMT2A
SCHEMBL22469031 0.87 ALDH1A1 (0.40) ALDH1A1
SCHEMBL5924317 0.85 ALDH1A1 (0.66) ALDH1A1HPGDLMNAATMSMN1; SMN2
SCHEMBL8352379 0.81 CA2 (0.40) ALDH1A1HPGDLMNAATMSMN1; SMN2

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
CN-106472958-B Method for efficiently and selectively reducing fluorine ions in high-fluorine food 安徽农业大学 2020-07-07 CN disclosed
US-8753895-B2 Surface modified metal nano-particle and use thereof Postech Academy-Industries Foundation (KR) 2014-06-17 US disclosed
US-20130252274-A1 Surface Modified Metal Nano-Particle and Use Thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2013-09-26 US disclosed
US-20120168681-A1 Surface Modified Metal Nano-Particle and Use Thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2012-07-05 US disclosed
US-4411905-A Antisecretory 1,2,4-triazole-3-thiols RICHARDSON-MERRELL INC. (US) 1983-10-25 US disclosed
US-4230715-A 1,2,4-Triazole-3-thiols as antisecretory agents RICHARDSON-MERRELL INC. (US) 1980-10-28 US disclosed
US-3954983-A CENTRAL NERVOUS SYSTEM ANTIDEPRESSANTS RICHARDSON-MERRELL INC. (US) 1976-05-04 US disclosed
US-3954981-A Triazolocycloalkylhydrothiadiazine derivatives RICHARDSON-MERRELL INC. (US) 1976-05-04 US disclosed
US-3954984-A ANTISECRETRETORY AGENTS, CENTRAL NERVOUS SYSTEM DEPRESSANTS RICHARDSON-MERRELL INC. (US) 1976-05-04 US disclosed