SCHEMBL11656022

SCHEMBL11656022

CCOc1ccc(S(=O)(=O)O)cc1N.Cc1cccc(NCCC#N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.40
▸ THRB P10828 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 5/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ IDO1 P14902 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL11657237 0.81 ALDH1A1 (0.43) GAATHRBKMT2AMAPTLMNA
SCHEMBL11652542 0.78 KMT2A (0.40) GAATHRBKMT2AMAPTLMNA
SCHEMBL1607305 0.76 HSD17B10 (0.57) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL11652096 0.74 POLB (0.42) GAATHRBKMT2AMAPTLMNA
SCHEMBL10624792 0.73 MAPT (0.69) GAATHRBMAPTLMNAHTT
SCHEMBL11696716 0.73 HTT (0.47) GAAKMT2AMAPTLMNAHTT
SCHEMBL11655801 0.72 HSD17B10 (0.49) GAAKMT2AMAPTLMNAHTT
SCHEMBL11656023 0.70 ALDH1A1 (0.36) GAATHRBKMT2AMAPTLMNA
SCHEMBL11653193 0.70 TDP1 (0.57) GAAKMT2AMAPTLMNATDP1
SCHEMBL11653491 0.69 HSD17B10 (0.48) GAAKMT2AMAPTLMNAHTT

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-4124581-A FOR NATURAL AND SYNTHETIC FIBERS, COLORFAST BAYER AKTIENGESELLSCHAFT (DE) 1978-11-07 — — US disclosed
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