SCHEMBL8311297

SCHEMBL8311297

CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccco4)cc(C(=O)n4ccnc4)c3c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 3/20 0.49
▸ THRB P10828 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ KMT2A Q03164 6/20 0.48
▸ HTT P42858 2/20 0.45
▸ L3MBTL1 Q9Y468 5/20 0.44
▸ USP2 O75604 4/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ DNMT1 P26358 1/20 0.44
▸ CACNA1B Q00975 2/20 0.43
▸ APBA1 Q02410 2/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPT P10636 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ POLB P06746 3/20 0.42
▸ RECQL P46063 3/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ HPGD P15428 3/20 0.41
▸ GAA P10253 3/20 0.41

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
SCHEMBL8311661 0.88 RXFP1 (0.58) RXFP1THRBLMNAKMT2AHTT
SCHEMBL8305681 0.85 RXFP1 (0.66) RXFP1THRBLMNAKMT2AHTT
SCHEMBL8311179 0.82 KMT2A (0.47) RXFP1THRBLMNAKMT2AHTT
SCHEMBL8305683 0.73 RXFP1 (0.60) RXFP1THRBLMNAKMT2AHTT
SCHEMBL8311182 0.73 RXFP1 (0.61) RXFP1THRBLMNAKMT2AHTT
SCHEMBL8303958 0.72 ATM (0.58) RXFP1THRBLMNAKMT2AHTT
SCHEMBL8311188 0.72 KMT2A (0.74) RXFP1THRBLMNAKMT2AHTT
SCHEMBL8311517 0.72 RXFP1 (0.58) RXFP1THRBLMNAKMT2AHTT
SCHEMBL8305679 0.71 RXFP1 (0.71) RXFP1THRBLMNAKMT2AHTT
SCHEMBL8311184 0.71 RXFP1 (0.60) RXFP1THRBLMNAKMT2AHTT

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
WO-2004078731-A1 QUINOLINE-CARBOXYLIC ACIDS AND THE DERIVATIVES THEREOF, A FOCUSED LIBRARY 'CHEMICAL DIVERSITY RESEARCH INSTITUTE', LTD. (RU) 2004-09-16 — — WO disclosed
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