SCHEMBL4051985

SCHEMBL4051985

O=C1c2cc(O)ccc2OCc2ncccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
ALDH1A1 P00352 4/20 0.63
RAB9A P51151 2/20 0.63
MAPK14 Q16539 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.40
APP P05067 1/20 0.40
MAOB P27338 3/20 0.40
MIF P14174 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
ACHE P22303 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
ATM Q13315 1/20 0.39
ESR1 P03372 1/20 0.39
MAOA P21397 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
SCHEMBL4054426 0.86 APP (0.50) MAPTALDH1A1RAB9AMAPK14SMN1; SMN2
SCHEMBL14159708 0.83 MAPK14 (0.49) MAPTALDH1A1RAB9AMAPK14SMN1; SMN2
SCHEMBL10702618 0.83 MAPK14 (0.55) MAPTALDH1A1RAB9AMAPK14SMN1; SMN2
SCHEMBL12121879 0.83 ALDH1A1 (0.46) MAPTALDH1A1RAB9AMAPK14SMN1; SMN2
SCHEMBL2197988 0.82 MAPK14 (0.58) MAPTALDH1A1RAB9AMAPK14SMN1; SMN2
SCHEMBL4050960 0.81 MAPT (0.63) MAPTALDH1A1RAB9ASMN1; SMN2APP
SCHEMBL654789 0.80 ALDH1A1 (0.66) MAPTALDH1A1RAB9AMAPK14SMN1; SMN2
SCHEMBL11273617 0.80 AKR1B1 (0.55) MAPK14
SCHEMBL13765238 0.80 MAPT (0.55) MAPTALDH1A1RAB9AMAPK14SMN1; SMN2
SCHEMBL10701723 0.79 MAPT (0.55) MAPTALDH1A1RAB9AMAPK14SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
EP-1560834-B1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL LAB (ES) 2008-06-25 EP disclosed