SCHEMBL9697614

SCHEMBL9697614

Cc1cc(=O)n(CCC(=O)O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 3/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 5/20 0.41
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ENPP3 O14638 2/20 0.39
ALPL P05186 2/20 0.39
XIAP P98170 2/20 0.39
APEX1 P27695 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM5A P29375 1/20 0.37
KDM2B Q8NHM5 1/20 0.37

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
SCHEMBL9698733 0.81 L3MBTL1 (0.49) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6005236 0.79 L3MBTL1 (0.54) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL695678 0.79 L3MBTL1 (0.48) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9698760 0.79 SMN1; SMN2 (0.57) KMT2AMEN1SMN1; SMN2ALDH1A1PKM
Acetic Acid SCHEMBL11685351 0.78 L3MBTL1 (0.57) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11751479 0.77 L3MBTL1 (0.56) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11782011 0.77 L3MBTL1 (0.46) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL10881056 0.76 L3MBTL1 (0.54) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11261167 0.75 MEN1 (0.57) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11782770 0.73 MEN1 (0.64) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5116957-A REACTIVE AZO DYESTUFFS HAVING A FLUOROTRIAZINE GROUP AND IMPROVED FIXATION PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 1992-05-26 US disclosed
US-4320132-A FUNGICIDES MONTEDISON S.P.A. (IT) 1982-03-16 US disclosed
US-4118384-A DIAZOTIZATION BAYER AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed
US-3988310-A FIBER-REACTIVE DYES; CELLULOSE BAYER AKTIENGESELLSCHAFT (DT) 1976-10-26 US disclosed