SCHEMBL2787148

SCHEMBL2787148

O=C(NCc1ccc2c(c1)OCO2)NSc1noc2cccc(OCC(F)(F)F)c12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ TSHR P16473 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ HPGD P15428 5/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ PSMD14 O00487 1/20 0.41
▸ COPS5 Q92905 1/20 0.41

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
SCHEMBL2788178 0.80 KDM4E (0.53) KMT2AMEN1MAPK1LMNATSHR
SCHEMBL2770355 0.79 SMN1; SMN2 (0.49) RAB9AHPGDALDH1A1
SCHEMBL2786524 0.72 HIF1A (0.40) KMT2AMEN1LMNATSHRRAB9A
SCHEMBL2786203 0.71 MAPT (0.48) KMT2AMEN1RAB9AHPGDHSD17B10
SCHEMBL2785389 0.68 LMNA (0.38) KMT2AMEN1LMNAALDH1A1
SCHEMBL2787412 0.66 GAA (0.47) KMT2AMEN1RAB9AHPGDNPC1
SCHEMBL2787572 0.64 MAPT (0.38) KMT2AMEN1MAPK1LMNA
SCHEMBL10120105 0.64 ALDH2 (0.72) KMT2AMEN1MAPK1LMNAMMP13
Cyclohexane SCHEMBL2442882 0.64 KCNA5 (0.39) KMT2AMEN1LMNATSHR
SCHEMBL5121760 0.64 SGMS2 (0.36) KMT2AMEN1HSD17B10KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 — — EP claimed
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