SCHEMBL9316023

SCHEMBL9316023

Cc1nc(C(=O)O)c(C(=O)O)cc1N(C)S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.38
▸ HPGD P15428 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ PIK3C3 Q8NEB9 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRB2 P47870 1/20 0.33

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
SCHEMBL8560446 0.79 FSCN1 (0.39) KMT2AHPGDALDH1A1MEN1GABRP
SCHEMBL9315436 0.74 SMN1; SMN2 (0.50) KMT2AHPGDALDH1A1MEN1GABRP
SCHEMBL8658096 0.72 KDM4E (0.41) KMT2AHPGDALDH1A1MEN1GABRP
SCHEMBL19084967 0.71 CSNK2A1 (0.49) KMT2APOLBALDH1A1L3MBTL1MEN1
SCHEMBL7558061 0.71 CSNK2A1 (0.44) KMT2APOLBALDH1A1L3MBTL1MEN1
SCHEMBL10465634 0.71 GABRP (0.44) KMT2AHPGDALDH1A1MEN1TSHR
SCHEMBL9077344 0.69 SORT1 (0.44) KMT2AALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL2807041 0.69 GABRP (0.47) KMT2APOLBALDH1A1L3MBTL1MEN1
SCHEMBL7683485 0.69 ACLY (0.46) KMT2APOLBALDH1A1LMNAMAPK1
SCHEMBL15575087 0.69 KMT2A (0.38) KMT2APOLBPIK3C3ALDH1A1L3MBTL1

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-5334576-A Pre- and postemergence AMERICAN CYANAMID COMPANY (US) 1994-08-02 — — US disclosed
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