SCHEMBL11834796

SCHEMBL11834796

C=C(C)CNc1cc(Cl)nnc1NN=C(CCC)CCC

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL11824852 0.83 KDM4E (0.36) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL11834806 0.82 ALDH1A1 (0.33) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL11827166 0.77 MAPT (0.42) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL11825844 0.76 SYK (0.31) —
SCHEMBL11827838 0.76 MAPT (0.39) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL11827598 0.76 ESR1 (0.36) ALDH1A1MAPTKDM4EHPGD
SCHEMBL11825801 0.75 TDP1 (0.37) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL11825750 0.74 ALDH1A1 (0.34) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL11826031 0.72 TDP1 (0.34) ALDH1A1
SCHEMBL11825945 0.71 MEN1 (0.37) ALDH1A1MAPTSMN1; SMN2

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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