SCHEMBL14399027

SCHEMBL14399027

COc1ccc(C(=O)CCCSc2nc3ccsc3c(=O)n2CC(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 2/20 0.57
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ LMNA P02545 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MAPT P10636 4/20 0.48
▸ POLB P06746 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ NSD2 O96028 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ GAA P10253 4/20 0.48
▸ RXFP1 Q9HBX9 3/20 0.48
▸ GPR35 Q9HC97 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ UBE2N P61088 1/20 0.46
▸ ATM Q13315 1/20 0.45

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
SCHEMBL10175968 0.71 RECQL (0.75) RECQLL3MBTL1LMNAALDH1A1SMN1; SMN2
SCHEMBL11046960 0.67 ALDH1A1 (0.54) RECQLL3MBTL1LMNAALDH1A1SMN1; SMN2
SCHEMBL5121151 0.67 PTGDR2 (0.64) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL10973486 0.67 SMN1; SMN2 (0.67) L3MBTL1LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL13024525 0.65 POLB (1.00) RECQLL3MBTL1LMNAALDH1A1SMN1; SMN2
SCHEMBL14398660 0.64 ALDH1A1 (0.44) RECQLL3MBTL1LMNAALDH1A1SMN1; SMN2
SCHEMBL13467800 0.64 L3MBTL1 (0.80) L3MBTL1LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL99448 0.64 PDE4B (1.00) L3MBTL1ALDH1A1MAPTHPGDKMT2A
SCHEMBL2413943 0.64 PDE4B (0.93) LMNAALDH1A1MAPTHPGDKMT2A
SCHEMBL5119950 0.64 PTGDR2 (0.85) POLBMEN1KMT2AATM

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-2007117180-A1 AZAHETEROCYCLES, COMBINATORY LIBRARY, FOCUSED LIBRARY, PHARMACEUTICAL COMPOSITION AND METHODS FOR THE PRODUCTION THEREOF 'CHEMICAL DIVERSITY RESEARCH INSTITUTE' LTD. (RU) 2007-10-18 — — WO disclosed
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