SCHEMBL11092541

SCHEMBL11092541

Cc1cc2ncc(C(=O)O)c(NNc3ccc(Cl)cc3)c2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MAPT P10636 5/20 0.40
MEN1 O00255 4/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
EGFR P00533 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
CSF1R P07333 1/20 0.38
LMNA P02545 3/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 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
SCHEMBL11087340 0.89 SMN1; SMN2 (0.40) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL11084724 0.80 ALDH1A1 (0.45) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL11114430 0.76 GABRP (0.39) KMT2AMEN1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11084301 0.74 ALDH1A1 (0.40) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL11084270 0.72 MEN1 (0.37) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL11083402 0.71 CSNK2A1 (0.42) KMT2AMAPTMEN1RAB9AEGFR
SCHEMBL7276545 0.71 GABRP (0.40) KMT2AMEN1SMN1; SMN2ALDH1A1GAA
SCHEMBL11080774 0.70 NPC1 (0.42) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL11086602 0.68 ALDH1A1 (0.41) KMT2AMAPTMEN1RAB9AEGFR
SCHEMBL11084914 0.67 KDR (0.46) MAPTRAB9ASMN1; SMN2ALDH1A1GAA

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