SCHEMBL9308885

SCHEMBL9308885

Cc1cc2cc(C(=O)O)c(C(=O)O)cc2nc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TDP1 Q9NUW8 2/20 0.42
SORT1 Q99523 5/20 0.41
BCAT2 O15382 1/20 0.40
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39

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
SCHEMBL2807161 0.80 ALDH1A1 (0.68) MEN1KMT2AALDH1A1TDP1GABRP
SCHEMBL30445650 0.80 ALDH1A1 (0.68) MEN1KMT2AALDH1A1TDP1GABRP
SCHEMBL12446315 0.77 NOTUM (0.46) MEN1KMT2AALDH1A1SORT1GABRP
SCHEMBL16621408 0.74 TDP1 (0.66) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL9797601 0.74 TERT (0.46) MEN1KMT2AALDH1A1TDP1BCAT2
SCHEMBL2271379 0.74 ALDH1A1 (0.45) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL28073764 0.73 PDE10A (0.47) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL10425806 0.72 HMGB1 (0.44) MEN1KMT2AALDH1A1TDP1SORT1
SCHEMBL8658096 0.72 KDM4E (0.41) MEN1KMT2AALDH1A1TDP1SORT1
SCHEMBL7589965 0.72 GPR35 (0.48) MEN1KMT2AALDH1A1GABRPGABRD

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-5283335-A Controlling (mono or di)cotyledenous plants AMERICAN CYANAMID COMPANY (US) 1994-02-01 US disclosed