SCHEMBL27635478

SCHEMBL27635478

O=C(Nc1ccc(-c2c(C(F)(F)F)cc3ccccn23)cc1)c1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ LMNA P02545 2/20 0.49
▸ TLR8 Q9NR97 1/20 0.48
▸ NPC1 O15118 7/20 0.47
▸ RAB9A P51151 7/20 0.47
▸ SMN1; SMN2 Q16637 7/20 0.47
▸ MAPT P10636 6/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ IDO1 P14902 3/20 0.46
▸ TP53 P04637 3/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.44
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43

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
SCHEMBL1827067 0.94 IDO1 (0.49) MEN1KMT2ATDP1LMNATLR8
SCHEMBL1828187 0.91 IDO1 (0.46) MEN1KMT2ATDP1LMNARAB9A
SCHEMBL27656419 0.86 MEN1 (0.51) MEN1KMT2ATDP1LMNATLR8
SCHEMBL16363201 0.79 IDO1 (0.49) MEN1KMT2ATDP1IDO1
SCHEMBL1827873 0.79 IDO1 (0.45) MEN1KMT2ATDP1LMNATLR8
SCHEMBL8297617 0.78 RAB9A (0.51) MEN1KMT2ATDP1LMNANPC1
SCHEMBL1827437 0.78 RAB9A (0.46) TDP1LMNATLR8NPC1RAB9A
SCHEMBL1825803 0.78 IDO1 (0.47) MEN1KMT2ATDP1LMNATLR8
SCHEMBL1827336 0.78 MAPT (0.54) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1828878 0.78 RAB9A (0.43) TDP1LMNATLR8NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1826121-B Application of phenyl and pyridyl derivatives in preparation of drugs for regulating calcium ion release and activating calcium ion channels SYNTA PHARMACEUTICALS CORP 2013-05-29 — — CN claimed
CN-102793692-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP 2012-11-28 — — CN claimed
CN-101947218-A The method of modulating calcium ion-release-activated calcium ion channels SYNTA PHARMACEUTICALS CORP 2011-01-19 — — CN claimed
CN-1826121-A Method for regulating and controlling calcium ion release to activate calcium ion channel SYNTA PHARMACEUTICALS CORP (US) 2006-08-30 — — CN claimed
CN-1826120-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP (US) 2006-08-30 — — CN claimed
CN-1826121-B Application of phenyl and pyridyl derivatives in preparation of drugs for regulating calcium ion release and activating calcium ion channels SYNTA PHARMACEUTICALS CORP 2013-05-29 — — CN disclosed
CN-102793692-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP 2012-11-28 — — CN disclosed
CN-101947218-A The method of modulating calcium ion-release-activated calcium ion channels SYNTA PHARMACEUTICALS CORP 2011-01-19 — — CN disclosed
CN-1826121-A Method for regulating and controlling calcium ion release to activate calcium ion channel SYNTA PHARMACEUTICALS CORP (US) 2006-08-30 — — CN disclosed
CN-1826120-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP (US) 2006-08-30 — — CN disclosed
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