SCHEMBL10895162

SCHEMBL10895162

Nc1ccc(NCCN2CCNCC2)c(S(=O)(=O)NN2CCOCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ MAPT P10636 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ PHGDH O43175 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ APAF1 O14727 1/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ PDK1 Q15118 1/20 0.35

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
SCHEMBL10892360 0.81 ALDH1A1 (0.45) CA1CA2CA9MAPTKMT2A
SCHEMBL10893997 0.78 ALDH1A1 (0.40) MAPTMEN1KMT2APOLBPHGDH
SCHEMBL10889951 0.78 CA1 (0.41) CA1CA2CA9MAPTMEN1
SCHEMBL10887855 0.76 ALDH1A1 (0.38) MAPTMEN1KMT2APOLBPHGDH
SCHEMBL10902226 0.75 KMT2A (0.53) MAPTKMT2APOLBALDH1A1
SCHEMBL10891503 0.75 CA1 (0.53) CA1CA2CA9MAPTKMT2A
SCHEMBL9878396 0.74 CD274 (0.43) CA1CA2CA9MAPTMEN1
SCHEMBL9878469 0.74 KMT2A (0.42) MAPTMEN1KMT2AALDH1A1CD274
SCHEMBL10904969 0.71 KMT2A (0.51) KMT2APOLB
SCHEMBL20607642 0.70 ALDH1A1 (0.56) MAPTMEN1KMT2APOLBALDH1A1

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-4588810-A Basic triphendioxazine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-05-13 — — US disclosed
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