SCHEMBL11219364

SCHEMBL11219364

CNC1=NN=C(c2ccccc2)CS1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MMP8 P22894 17/20 0.43
▸ MMP12 P39900 17/20 0.43
▸ MMP14 P50281 17/20 0.43
▸ MMP2 P08253 16/20 0.43
▸ MMP9 P14780 16/20 0.43
▸ MMP13 P45452 15/20 0.43
▸ MMP1 P03956 14/20 0.43
▸ MAPK1 P28482 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
Hydrochloric Acid SCHEMBL11227396 0.98 MAPT (0.43) MAPTNPC1POLBRAB9AALDH1A1
SCHEMBL13002399 0.97 MAPT (0.45) MAPTNPC1POLBRAB9AALDH1A1
SCHEMBL13002595 0.88 MMP8 (0.45) MAPTNPC1POLBRAB9AALDH1A1
SCHEMBL13002915 0.83 MAPT (0.45) MAPTNPC1POLBRAB9AALDH1A1
SCHEMBL11233273 0.83 MMP9 (0.48) MAPTNPC1POLBRAB9AALDH1A1
SCHEMBL13002430 0.83 GAA (0.38) MAPTRAB9AALDH1A1MMP8MMP12
SCHEMBL13002598 0.82 CYP2A6 (0.46) MAPTNPC1POLBRAB9AALDH1A1
SCHEMBL11385692 0.81 ALDH1A1 (0.41) MAPTNPC1POLBRAB9AALDH1A1
Hydrochloric Acid SCHEMBL11219335 0.81 MMP9 (0.47) MAPTNPC1POLBRAB9AALDH1A1
Bromide SCHEMBL11378134 0.81 MMP2 (0.47) MAPTNPC1POLBRAB9AALDH1A1

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-4309426-A Muscle-relaxant 1,3,4-thiadiazin-2-amines RICHARDSON-MERRELL INC. (US) 1982-01-05 — — US disclosed
US-4272532-A SEDATIVES RICHARDSON-MERRELL INC. (US) 1981-06-09 — — US disclosed
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