SCHEMBL4054259

SCHEMBL4054259

CN1Cc2ccc(O)cc2C(=O)c2cccnc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TNF P01375 3/20 0.39
FABP1 P07148 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
CYP19A1 P11511 1/20 0.37
MAOB P27338 3/20 0.37
MAOA P21397 2/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
UGT1A1 P22309 1/20 0.37
MAPK14 Q16539 1/20 0.36
GAA P10253 1/20 0.36
PBRM1 Q86U86 1/20 0.36
CES2 O00748 1/20 0.35

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
SCHEMBL4057268 0.84 SMN1; SMN2 (0.41) LMNASMN1; SMN2ALDH1A1RAB9AMAPK14
SCHEMBL4056491 0.83 LMNA (0.46) LMNASMN1; SMN2MAOAGAA
SCHEMBL4060100 0.80 MAPT (0.53) LMNASMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL4061889 0.72 PBRM1 (0.50) TNFALDH1A1MAPTRAB9ACYP19A1
SCHEMBL8227049 0.72 PBRM1 (0.47) MAOBMAOAESR1ESR2UGT1A1
SCHEMBL29595598 0.72 PBRM1 (0.47) MAOBMAOAESR1ESR2UGT1A1
SCHEMBL27325981 0.68 ESR1 (0.46) LMNASMN1; SMN2ALDH1A1MAPTRAB9A
SCHEMBL24026848 0.67 CACNA2D1 (0.54)
SCHEMBL11089109 0.66 TDP1 (0.69) ALDH1A1MAPTRAB9ACYP19A1MAOB
SCHEMBL3741412 0.66 MAOA (0.67) TNFALDH1A1MAPTRAB9AMAOB

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