SCHEMBL9815540

SCHEMBL9815540

CC(=O)NCCNc1ccc(N)cc1S(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 1/20 0.51
▸ TDP1 Q9NUW8 4/20 0.50
▸ RECQL P46063 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ CASP6 P55212 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ ELAVL1 Q15717 1/20 0.50
▸ NSD2 O96028 1/20 0.49
▸ APEX1 P27695 1/20 0.49
▸ APOBEC3A P31941 1/20 0.49
▸ APOBEC3G Q9HC16 1/20 0.49
▸ HSD17B10 Q99714 2/20 0.46
▸ NT5E P21589 1/20 0.43
▸ CA9 Q16790 2/20 0.43

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
SCHEMBL9152694 0.81 RAPGEF4 (0.55) RAPGEF4TDP1RECQLALDH1A1KDM4E
SCHEMBL8412044 0.81 RAPGEF4 (0.55) RAPGEF4TDP1RECQLALDH1A1KDM4E
SCHEMBL8164203 0.81 RAPGEF4 (0.58) RAPGEF4TDP1RECQLALDH1A1KDM4E
SCHEMBL6578153 0.81 RAPGEF4 (0.58) RAPGEF4TDP1RECQLALDH1A1KDM4E
SCHEMBL9153315 0.80 RAPGEF4 (0.54) RAPGEF4TDP1RECQLALDH1A1KDM4E
SCHEMBL9158249 0.80 RAPGEF4 (0.54) RAPGEF4TDP1RECQLALDH1A1KDM4E
SCHEMBL11312603 0.80 CYP1A2 (0.47) RECQLALDH1A1KDM4EMAPTHSD17B10
SCHEMBL11326761 0.80 CA9 (0.47) TDP1RECQLALDH1A1KDM4EGAA
SCHEMBL3830815 0.79 RAPGEF4 (0.59) RAPGEF4TDP1RECQLALDH1A1KDM4E
SCHEMBL9083398 0.79 RAPGEF4 (0.59) RAPGEF4TDP1RECQLALDH1A1KDM4E

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-0276686-B1 ANTHRAQUINONE COMPOUND AND DYEING OR PRINTING METHOD USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-09-04 — — EP disclosed
US-4977261-A FIBER-REACTIVE DYES SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1990-12-11 — — US disclosed
US-4864018-A REACTIVE TRIAZINE-TYPE DYES HAVING PREFERENTIAL BINDING CAPACITY FOR BIOLOGICAL MOLECULES; PROTEIN AND ENZYMES ADSORBENTS AND PRECIPITATES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-09-05 — — US disclosed
EP-0276686-A2 Anthraquinone compound and dyeing or printing method using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-08-03 — — EP disclosed
EP-0209284-A2 Anthraquinone derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-01-21 — — EP disclosed
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