SCHEMBL11114430

SCHEMBL11114430

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
GABRG3 Q99928 2/20 0.39
GABRQ Q9UN88 2/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38

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
SCHEMBL7276545 0.83 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11092541 0.76 KMT2A (0.40) LMNAALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL11087340 0.73 SMN1; SMN2 (0.40) LMNAALDH1A1RXFP1MAPK1LDHA
SCHEMBL4900637 0.71 AXL (0.43) LMNASMN1; SMN2KMT2ATSHRHTT
SCHEMBL4901203 0.70 SRC (0.35)
SCHEMBL10997351 0.70 KMT2A (0.46) LMNAALDH1A1PKMMAPK1KDM4E
SCHEMBL7498304 0.69 ALDH1A1 (0.48) LMNAALDH1A1PKMMAPK1NPSR1
SCHEMBL15215112 0.69 ALDH1A1 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7499863 0.69 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10473621 0.69 PDPK1 (0.41) GABRPGABRDGABRA1GABRB1GABRG2

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
EP-0126970-A2 Anxiolytic and anti-depressant thienopyridine derivatives BEECHAM GROUP PLC (GB) 1984-12-05 EP disclosed