SCHEMBL10895233

SCHEMBL10895233

CNc1ccc(N)cc1S(=O)(=O)NN1CCN(C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ TDP1 Q9NUW8 5/20 0.45
▸ CACNA1B Q00975 1/20 0.45
▸ APBA1 Q02410 1/20 0.45
▸ KDM4E B2RXH2 5/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ ADRA2C P18825 2/20 0.35
▸ RAPGEF4 Q8WZA2 1/20 0.35
▸ POLB P06746 5/20 0.35
▸ GAA P10253 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ RECQL P46063 2/20 0.35
▸ CASP6 P55212 2/20 0.35
▸ ELAVL1 Q15717 1/20 0.35
▸ APOBEC3G Q9HC16 2/20 0.34
▸ GFER P55789 1/20 0.34
▸ PTK2B Q14289 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
SCHEMBL10635283 0.79 RAPGEF4 (0.44) MAPTALDH1A1TDP1KDM4ERAPGEF4
SCHEMBL10894909 0.78 METAP2 (0.43) MAPTALDH1A1TDP1CACNA1BAPBA1
SCHEMBL10892360 0.77 ALDH1A1 (0.45) MAPTALDH1A1KDM4EPOLBKMT2A
SCHEMBL10126981 0.72 MAPT (0.54) MAPTALDH1A1TDP1KDM4ERAD52
SCHEMBL343355 0.70 RAPGEF4 (0.65) MAPTALDH1A1TDP1KDM4ERAPGEF4
SCHEMBL10902421 0.69 KMT2A (0.53) TDP1POLBKMT2ANPSR1
SCHEMBL15486496 0.67 MAPT (0.58) MAPTALDH1A1TDP1KDM4ERAD52
SCHEMBL10893997 0.66 ALDH1A1 (0.40) MAPTALDH1A1KDM4EPOLBGAA
SCHEMBL10892420 0.66 CYP2C9 (0.47) ALDH1A1RAPGEF4POLBGAAKMT2A
SCHEMBL28284693 0.66 CA1 (0.53) ALDH1A1TDP1KMT2AHTR6

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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