SCHEMBL4626754

SCHEMBL4626754

CN1c2ccccc2SC1c1ccc(C=O)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ PABPC1 P11940 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ IMPDH2 P12268 1/20 0.35
▸ GSK3B P49841 1/20 0.33
▸ TSHR P16473 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.30
▸ HDAC3 O15379 1/20 0.30
▸ HDAC4 P56524 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC7 Q8WUI4 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30

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
SCHEMBL28758480 0.79 KDM4E (0.41) KDM4ESMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3731249 0.71 ALOX5 (0.35) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL3743379 0.71 DRD2 (0.39) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4625872 0.70 KDM4E (0.33) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11886360 0.70 MAOA (0.37) KDM4ESMN1; SMN2MEN1KMT2ALMNA
SCHEMBL27756076 0.69 ALDH1A1 (0.37) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL19267117 0.69 KDM4E (0.44) KDM4ESMN1; SMN2MEN1KMT2ALMNA
SCHEMBL17399090 0.69 MYLK (0.38) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4015059 0.69 ALDH1A1 (0.35) KDM4ESMN1; SMN2MEN1KMT2ALMNA
SCHEMBL30986852 0.68 MAOA (0.41) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 — — EP claimed
EP-1200050-B1 DYEING AGENT FOR KERATINOUS FIBRES HENKEL KGAA (DE) 2004-09-22 — — EP claimed
US-6755872-B1 ALDEHYDE OR KETONE AND NITROAMINE HETEROAROMATICS; NO OXIDING AGENT REQUIRED; COLORFASTNESS; GREY COVERAGE; COLOR DEPTH HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-06-29 — — US claimed
CN-1681470-A Agent for dyeing keratinous fibres HENKEL KGAA (DE) 2005-10-12 — — CN disclosed
US-6755872-B1 ALDEHYDE OR KETONE AND NITROAMINE HETEROAROMATICS; NO OXIDING AGENT REQUIRED; COLORFASTNESS; GREY COVERAGE; COLOR DEPTH HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-06-29 — — US disclosed
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