SCHEMBL13360245

SCHEMBL13360245

O=C(O)c1cnc(-c2cc(O)c(C(=O)O)cn2)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.46
ALDH1A1 P00352 5/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA12 O43570 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 3/20 0.45
TSHR P16473 1/20 0.45
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42

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
SCHEMBL13360236 0.82 CA1 (0.45) LDHAALDH1A1CA1CA2CA12
SCHEMBL915144 0.82 ALDH1A1 (0.45) LDHAALDH1A1CA1CA2CA12
SCHEMBL13328090 0.81 LDHA (0.48) LDHAALDH1A1GABRPGABRDGABRA1
SCHEMBL13328091 0.81 CA1 (0.41) LDHAALDH1A1CA1CA2CA12
SCHEMBL15793363 0.80 KDM4E (0.57) ALDH1A1CA1CA2CA12CA7
SCHEMBL5356192 0.78 GABRP (0.63) ALDH1A1CA1CA2CA12CA7
SCHEMBL191344 0.78 GABRP (0.48) LDHAALDH1A1CA1CA2CA12
SCHEMBL4842186 0.78 CA1 (0.42) LDHAALDH1A1CA1CA2CA12
SCHEMBL426192 0.78 CA1 (0.44) ALDH1A1CA1CA2CA12CA7
Hydrochloric Acid SCHEMBL11589303 0.77 GABRP (0.47) LDHAALDH1A1CA1CA2CA12

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-7718803-B2 Self-dispersible bipyridine-based metal complex and ink composition comprising the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-05-18 US disclosed