SCHEMBL9130763

SCHEMBL9130763

O=C(C1=C(Nc2ccccc2)CCC1)c1ccccc1Br

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 2/20 0.50
▸ MAPK12 P53778 2/20 0.50
▸ MAPK11 Q15759 2/20 0.50
▸ MAPK14 Q16539 2/20 0.50
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ F2R P25116 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ USP2 O75604 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ FABP4 P15090 1/20 0.36

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
SCHEMBL10964731 0.72 CASP3 (0.47) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL9130561 0.70 L3MBTL1 (0.42) NPC1RAB9AMAPTGAASMN1; SMN2
SCHEMBL11409753 0.69 ALDH1A1 (0.38) NPC1RAB9AMAPTGAASMN1; SMN2
SCHEMBL8022715 0.69 MAPT (0.50) NPC1RAB9AMAPTGAASMN1; SMN2
SCHEMBL1681866 0.68 PRNP (0.53) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL29470997 0.68 PRNP (0.53) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL9679485 0.66 PRNP (0.57) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL3844423 0.66 PRNP (0.57) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL10803715 0.66 MAPT (0.50) NPC1RAB9AMAPTGAASMN1; SMN2
SCHEMBL723657 0.65 AKR1C3 (0.61) MAPK13MAPK12MAPK11MAPK14NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5439916-A Antiallergens,-inflammatory and -ulcer agents; hypotensive agents; immunosuppressants; skin disorders SCHERING CORPORATION (US) 1995-08-08 — — US disclosed
US-5126352-A Antiallergy, antiinflammatory, antiulcer, hypotensive, antibody inhibitors SCHERING CORPORATION (US) 1992-06-30 — — US disclosed
US-5116840-A Antiulcer, antiinflammatory, hypotensive, immunosuppressants SCHERING CORPORATION (US) 1992-05-26 — — US disclosed
EP-0229823-B1 POLYCYCLIC QUINOLINE, NAPHTHYRIDINE AND PYRAZINOPYRIDINE DERIVATIVES SCHERING CORPORATION (US) 1991-09-25 — — EP disclosed
US-4988705-A Antiallergens and -inflammatory agents; hypotensive agents immunological suppression; hyperproliferative skin disorders such as psoriasis SCHERING CORPORATION (US) 1991-01-29 — — US disclosed
US-4810708-A ANTIALLERGY, IMMUNOSUPPRESSIVE SCHERING CORPORATION (US) 1989-03-07 — — US disclosed
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