SCHEMBL6011127

SCHEMBL6011127

CN1c2ccccc2SC1c1ccc(C=O)o1.C[n+]1c(-c2ccc(C=O)o2)sc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4015059 0.82 ALDH1A1 (0.35) KDM4EMEN1ALDH1A1MAPTPKM
SCHEMBL2028912 0.80 KDM4E (0.49) KDM4EMEN1ALDH1A1MAPTPKM
SCHEMBL4625872 0.61 KDM4E (0.33) KDM4EMEN1ALDH1A1MAPTRAB9A
SCHEMBL3731249 0.60 ALOX5 (0.35) KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL2026421 0.58 DPP4 (0.41) KDM4EMEN1ALDH1A1MAPTRAB9A
SCHEMBL5712032 0.57 CYP2A6 (0.44) KDM4EMEN1ALDH1A1MAPTPKM
SCHEMBL3743379 0.57 DRD2 (0.39) KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL2028552 0.57 SNCA (0.41) MEN1ALDH1A1MAPTRAB9AKMT2A
SCHEMBL30986852 0.57 MAOA (0.41) KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL27516784 0.57 MAOA (0.41) ALDH1A1RAB9ASMN1; 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-7105032-B2 Agents used for dyeing keratinous fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-09-12 — — US claimed
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