SCHEMBL11826476

SCHEMBL11826476

CCCC(CCC)=NNc1nnc(Cl)cc1Nc1ccc(CC)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.35
▸ GAA P10253 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MAPKAPK2 P49137 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ TP53 P04637 2/20 0.33
▸ EGFR P00533 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ AGTR1 P30556 1/20 0.32
▸ KDR P35968 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
SCHEMBL11827598 0.91 ESR1 (0.36) MAPTGAANPSR1LMNAKMT2A
SCHEMBL11827838 0.88 MAPT (0.39) MAPTGAANPSR1LMNATP53
SCHEMBL11825945 0.85 MEN1 (0.37) MAPTGAARAB9AEGFRKMT2A
SCHEMBL11827111 0.77 NPC1 (0.40) MAPTGAANPC1RAB9AMAPKAPK2
SCHEMBL11827092 0.74 NPC1 (0.44) MAPTNPC1RAB9AMAPKAPK2LMNA
SCHEMBL11824852 0.74 KDM4E (0.36) MAPTGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL11834796 0.74 ALDH1A1 (0.34) MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL11825801 0.73 TDP1 (0.37) MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL11827166 0.68 MAPT (0.42) MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL11884972 0.66 RAB9A (0.43) MAPTGAANPC1RAB9ALMNA

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-3978057-A HYPOTENSIVE AGENTS SANDOZ, INC. (US) 1976-08-31 — — US disclosed
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