SCHEMBL10995705

SCHEMBL10995705

CCOC(=S)CCc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.49
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 2/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.39
POLB P06746 1/20 0.39
CDC7 O00311 2/20 0.38
DBF4 Q9UBU7 2/20 0.38

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
SCHEMBL11369773 0.90 NAMPT (0.44) NAMPTKMT2AALDH1A1MEN1LMNA
SCHEMBL27352286 0.81 L3MBTL1 (0.50) KMT2AALDH1A1MEN1GAACYP4F2
SCHEMBL11000781 0.81 LOXL2 (0.42) NAMPTKMT2AALDH1A1MEN1LMNA
SCHEMBL2412884 0.79 CYP4F2 (0.67) NAMPTKMT2AALDH1A1MEN1LMNA
SCHEMBL27207879 0.79 NAMPT (0.49) NAMPTKMT2AALDH1A1MEN1LMNA
SCHEMBL11272466 0.79 KMT2A (0.45) KMT2AALDH1A1MEN1LMNAGAA
Hydrochloric Acid SCHEMBL27207834 0.77 NAMPT (0.48) NAMPTKMT2AALDH1A1MEN1LMNA
SCHEMBL11270504 0.77 F2RL1 (0.53) KMT2AALDH1A1LMNAPOLB
SCHEMBL10996124 0.75 LOXL2 (0.46) NAMPTKMT2AALDH1A1LMNALOXL2
SCHEMBL27469498 0.72 ALOX5 (0.56) NAMPTKMT2AALDH1A1MEN1LMNA

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
US-4535084-A ANTIARTHRITIC, ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1985-08-13 US disclosed
US-4246263-A ANTIARTHRITIC AGENTS PFIZER INC. (US) 1981-01-20 US disclosed