SCHEMBL7347464

SCHEMBL7347464

O=C1C=c2cc(OCc3ccccc3)ccc2=N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.49
ALOX5 P09917 1/20 0.49
MAOB P27338 11/20 0.48
MAOA P21397 10/20 0.48
GSTP1 P09211 1/20 0.48
NSD2 O96028 1/20 0.47
ABL1 P00519 1/20 0.47
PPARG P37231 1/20 0.47
RIN1 Q13671 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
IP6K1 Q92551 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46

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
SCHEMBL8815271 0.75 F2 (0.36) MAOBGSTP1PPARGMEN1NPC1
SCHEMBL27759624 0.75 MAOB (0.36) MAOBMAOANPC1CA12CA1
SCHEMBL27759620 0.73 MAOA (0.37) MAOBMAOAL3MBTL1NPC1
SCHEMBL9269425 0.72 ALOX5 (0.50) TOP1ALOX5MAOBMAOAL3MBTL1
SCHEMBL27557603 0.69 LMNA (0.39) ALOX5MAOBMAOAL3MBTL1MEN1
SCHEMBL27367676 0.69 LMNA (0.82) ALOX5MAOBMAOAGSTP1L3MBTL1
SCHEMBL339813 0.69 LMNA (0.82) ALOX5MAOBMAOAGSTP1L3MBTL1
SCHEMBL24701048 0.68 TOP1 (0.71) TOP1ALOX5MAOBMAOAGSTP1
SCHEMBL1268719 0.67 MAOB (0.81) ALOX5MAOBMAOAMEN1KMT2A
SCHEMBL4674930 0.67 MEN1 (0.70) ALOX5MAOBMAOAGSTP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0581939-B1 N-SULPHONYL-2-OXOINDOLE DERIVATIVES HAVING AFFINITY FOR VASOPRESSIN AND/OR OCYTOCIN RECEPTORS SANOFI SA (FR) 1999-06-02 EP disclosed
EP-0581939-A1 N-SULPHONYL-2-OXOINDOLE DERIVATIVES HAVING AFFINITY FOR VASOPRESSIN AND/OR OCYTOCIN RECEPTORS SANOFI (FR) 1994-02-09 EP disclosed
WO-1993015051-A1 N-SULPHONYL-2-OXOINDOLE DERIVATIVES HAVING AFFINITY FOR VASOPRESSIN AND/OR OCYTOCIN RECEPTORS ELF SANOFI (FR) 1993-08-05 WO disclosed