SCHEMBL8746411

SCHEMBL8746411

C=C(c1cccc(N)c1)c1ccc2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.47
▸ MGAM O43451 1/20 0.44
▸ HTR3A P46098 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ NCF1 P14598 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ PBRM1 Q86U86 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HSD17B14 Q9BPX1 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ NFKB1 P19838 1/20 0.38

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
SCHEMBL9023447 0.84 HSD17B14 (0.40) CNR2ALDH1A1GAAMAPTKMT2A
SCHEMBL28605670 0.82 CNR2 (0.62) CNR2MGAMALDH1A1GAAMAPT
SCHEMBL8521342 0.78 CNR2 (0.44) CNR2MGAMALDH1A1GAAMAPT
SCHEMBL9335143 0.78 CNR2 (0.48) CNR2MGAMALDH1A1GAAMAPT
SCHEMBL28443611 0.78 MGAM (0.61) CNR2MGAMALDH1A1GAAMAPT
SCHEMBL3860500 0.77 HSD17B14 (0.52) CNR2MGAMALDH1A1GAAMAPT
SCHEMBL22501419 0.74 RAB9A (0.50) CNR2MGAMALDH1A1GAAMAPT
SCHEMBL19070659 0.74 F2 (0.56) ALDH1A1GAAKMT2APBRM1KDM4E
SCHEMBL16396188 0.73 PBRM1 (0.59) ALDH1A1GAAMAPTKMT2APBRM1
SCHEMBL28438753 0.72 HSD17B14 (0.51) CNR2MGAMMAPTKMT2AHDAC8

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
EP-0654026-B1 ISOSERINE DERIVATIVES AND THEIR USE AS LEUKOTRIENE ANTAGONISTS LEO PHARM PROD LTD (DK) 1997-02-19 — — EP disclosed
US-5576438-A LIPOXYGENASE INHIBITORS; ANTIALLERGENS, ANTIINFLAMMATORY AGENTS Leo Pharmaceutical Products Ltd. A/S (L.o slashed.vens Kemiske Fabrik Produktionsaktiesel Skab) (DK) 1996-11-19 — — US disclosed
EP-0654026-A1 ISOSERINE DERIVATIVES AND THEIR USE AS LEUKOTRIENE ANTAGONISTS. LEO PHARM PROD LTD (DK) 1995-05-24 — — EP disclosed
WO-1994003431-A1 ISOSERINE DERIVATIVES AND THEIR USE AS LEUKOTRIENE ANTAGONISTS Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1994-02-17 — — WO disclosed
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