SCHEMBL13002399

SCHEMBL13002399

CNC1=NN=C(c2ccc(-c3ccccc3)cc2)CS1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ MMP8 P22894 17/20 0.44
▸ MMP12 P39900 17/20 0.44
▸ MMP14 P50281 17/20 0.44
▸ MMP2 P08253 16/20 0.44
▸ MMP9 P14780 16/20 0.44
▸ MMP13 P45452 15/20 0.44
▸ MMP1 P03956 14/20 0.44
▸ MEN1 O00255 1/20 0.38
▸ NR2F2 P24468 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 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
SCHEMBL11219364 0.97 MAPT (0.43) MAPTALDH1A1NPC1POLBRAB9A
Hydrochloric Acid SCHEMBL11227396 0.95 MAPT (0.43) MAPTALDH1A1NPC1POLBRAB9A
SCHEMBL13002595 0.88 MMP8 (0.45) MAPTALDH1A1NPC1POLBRAB9A
SCHEMBL13002598 0.85 CYP2A6 (0.46) MAPTALDH1A1NPC1POLBRAB9A
SCHEMBL13002600 0.84 ALDH1A1 (0.41) MAPTALDH1A1NPC1POLBRAB9A
SCHEMBL13002915 0.83 MAPT (0.45) MAPTALDH1A1NPC1POLBRAB9A
SCHEMBL11233273 0.83 MMP9 (0.48) MAPTALDH1A1NPC1POLBRAB9A
Hydrochloric Acid SCHEMBL11219335 0.82 MMP9 (0.47) MAPTALDH1A1NPC1POLBRAB9A
Bromide SCHEMBL11378134 0.82 MMP2 (0.47) MAPTALDH1A1NPC1POLBRAB9A
SCHEMBL13003044 0.82 ALDH1A1 (0.43) MAPTALDH1A1RAB9AMMP8MMP12

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
WO-2010137350-A1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS 住友化学株式会社 (JP) 2010-12-02 — — WO disclosed
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