SCHEMBL11385692

SCHEMBL11385692

CCNC1=NN=C(c2ccccc2)CS1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MMP8 P22894 17/20 0.40
▸ MMP12 P39900 17/20 0.40
▸ MMP14 P50281 17/20 0.40
▸ MMP2 P08253 16/20 0.40
▸ MMP9 P14780 16/20 0.40
▸ MMP13 P45452 15/20 0.40
▸ MMP1 P03956 14/20 0.40
▸ LMNA P02545 2/20 0.37
▸ TDP1 Q9NUW8 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 SCHEMBL11381457 0.98 ALDH1A1 (0.40) ALDH1A1POLBMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL11218389 0.83 MMP9 (0.45) ALDH1A1POLBMAPTNPC1RAB9A
SCHEMBL11219364 0.81 MAPT (0.43) ALDH1A1POLBMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL11227396 0.80 MAPT (0.43) ALDH1A1POLBMAPTNPC1RAB9A
SCHEMBL13002399 0.79 MAPT (0.45) ALDH1A1POLBMAPTNPC1RAB9A
SCHEMBL13002595 0.74 MMP8 (0.45) ALDH1A1POLBMAPTNPC1RAB9A
SCHEMBL14907802 0.74 GRK6 (0.49) ALDH1A1POLBMAPTNPC1RAB9A
SCHEMBL16160758 0.71 ALDH1A1 (0.52) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL20378953 0.68 MAPT (0.51) ALDH1A1POLBMAPTNPC1RAB9A
SCHEMBL13002598 0.66 CYP2A6 (0.46) ALDH1A1POLBMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4272532-A SEDATIVES RICHARDSON-MERRELL INC. (US) 1981-06-09 — — US disclosed
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