SCHEMBL12633583

SCHEMBL12633583

O=Cc1cn(C(=O)c2c(Cl)cccc2Cl)c2ncc(Br)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 7/20 0.38
▸ SLC22A12 Q96S37 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ PTPN7 P35236 1/20 0.36
▸ DUSP3 P51452 1/20 0.36
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ FGFR1 P11362 1/20 0.31
▸ FGFR4 P22455 1/20 0.31
▸ DOT1L Q8TEK3 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ ENPP3 O14638 1/20 0.31
▸ ENPP1 P22413 1/20 0.31
▸ PLAU P00749 1/20 0.30

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
SCHEMBL12633588 0.78 RORC (0.41) ELANESLC22A12PLAU
SCHEMBL30376166 0.76 TSHR (0.37) ELANESLC22A12TSHRMEN1KMT2A
SCHEMBL25175283 0.76 TSHR (0.37) ELANESLC22A12TSHRMEN1KMT2A
SCHEMBL21624522 0.76 TSHR (0.37) ELANESLC22A12TSHRNPC1SMN1; SMN2
SCHEMBL4246037 0.74 ENPP3 (0.34) ELANEHSD17B10ENPP3ENPP1CNR2
SCHEMBL21624489 0.73 RORC (0.35) ELANESLC22A12TSHRPLAU
SCHEMBL29771187 0.73 RORC (0.35) ELANESLC22A12TSHRPLAU
SCHEMBL29482876 0.73 BRAF (0.38) ELANETSHRPLAU
SCHEMBL29771186 0.73 RORC (0.35) ELANESLC22A12TSHRPLAU
SCHEMBL16266430 0.73 TSHR (0.35) ELANESLC22A12TSHRMEN1KMT2A

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
WO-2011079133-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-06-30 — — WO disclosed
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