SCHEMBL12155615

SCHEMBL12155615

O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cn1)c1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.48
▸ SMN1; SMN2 Q16637 6/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ NPC1 O15118 10/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ABCB1 P08183 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ MAPT P10636 3/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ABL1 P00519 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ HTR1F P30939 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ HSD17B10 Q99714 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
SCHEMBL12155603 0.92 IL2 (0.43) RAB9ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL12241435 0.91 RAB9A (0.47) RAB9ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL12156251 0.90 RAB9A (0.44) RAB9ASMN1; SMN2NPC1ALDH1A1MAPK1
SCHEMBL12241418 0.90 NPC1 (0.52) RAB9ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL12155617 0.88 RAB9A (0.43) RAB9ASMN1; SMN2KDM4ENPC1ABCB1
SCHEMBL12155613 0.88 IL2 (0.43) RAB9ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL12155497 0.88 ABL1 (0.43) RAB9ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL12155501 0.88 NPC1 (0.43) RAB9ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL12156252 0.87 ABCB1 (0.53) RAB9ASMN1; SMN2KDM4ENPC1ABCB1
SCHEMBL12156212 0.87 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2KDM4ENPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563776-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2016-06-08 — — EP disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
WO-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 — — WO disclosed
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