SCHEMBL7276545

SCHEMBL7276545

Cc1cc2ncc(C(=O)O)c(O)c2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40
GABRA4 P48169 2/20 0.40
GABRE P78334 2/20 0.40
GABRA6 Q16445 2/20 0.40
GABRG1 Q8N1C3 2/20 0.40
GABRG3 Q99928 2/20 0.40
GABRQ Q9UN88 2/20 0.40
ALDH1A1 P00352 4/20 0.39
PKM P14618 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
LMNA P02545 1/20 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
SCHEMBL11114430 0.83 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9837120 0.81 KDM4E (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4904323 0.81 AKR1C3 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27262833 0.76 MAPT (0.49) ALDH1A1PKMRXFP1LMNANPSR1
SCHEMBL11094914 0.74 CSNK2A2 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11087340 0.74 SMN1; SMN2 (0.40) ALDH1A1RXFP1LMNAMAPK1LDHA
SCHEMBL11092541 0.71 KMT2A (0.40) ALDH1A1LMNAKDM4ESMN1; SMN2KMT2A
SCHEMBL4543435 0.70 GPR35 (0.41) ALDH1A1RXFP1MAPK1NPSR1KDM4E
SCHEMBL8972231 0.69 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12786944 0.68 ALDH1A1 (0.49) ALDH1A1PKMMAPK1NPSR1LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560348-B1 Thieno 3,2-b pyridine derivatives for the treatment of gastrointestinal disorders MITSUBISHI CHEM CORP (JP) 2002-07-10 EP disclosed
US-5352685-A Gastrointestinal disorders MITSUBISHI KASEI CORPORATION (JP) 1994-10-04 US disclosed
EP-0560348-A1 Thieno 3,2-b pyridine derivatives for the treatment of gastrointestinal disorders Mitsubishi Chemical Corporation (JP) 1993-09-15 EP disclosed
CN-1019491-B PREPAPARATION OF THIOPHENE-PYRIDONE USED AS NEW THERAPEUTIC AGENTS BOOTS CO PLC (GB) 1992-12-16 CN disclosed
CN-87107975-A The preparation method of medicine 1988-06-01 CN disclosed