SCHEMBL8676080

SCHEMBL8676080

CCCCc1c2c(cc(C(=O)Nc3ccccc3)c1N1CCCCC1N)-c1ccccc1C2C(=O)NCC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.33
▸ ACKR3 P25106 4/20 0.33
▸ TRPV4 Q9HBA0 1/20 0.32
▸ PTPN11 Q06124 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ AHR P35869 2/20 0.30
▸ MTTP P55157 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ TRPV1 Q8NER1 1/20 0.30
▸ NPY2R P49146 1/20 0.30
▸ CNR1 P21554 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
SCHEMBL8666560 0.98 POLB (0.33) POLBACKR3TRPV4PTPN11JAK2
SCHEMBL8655496 0.88 POLB (0.33) POLBMTTPGAACNR1CNR2
SCHEMBL8655310 0.87 POLB (0.32) POLB
SCHEMBL8655292 0.86 POLB (0.32) POLB
SCHEMBL8668056 0.86 KDM2B (0.34) POLBMTTPNPY2RCNR1CNR2
SCHEMBL8655163 0.86 POLB (0.32) POLB
SCHEMBL8479120 0.85 POLB (0.34) POLB
SCHEMBL8650741 0.85 POLB (0.31) POLB
SCHEMBL8650975 0.85 CNR2 (0.35) POLBMTTPKDM4EMEN1KMT2A
SCHEMBL8652604 0.85 USP30 (0.32) POLB

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
US-H1729-H Method for preparing compounds employing solid phase synthesis and novel linker-resin BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-05 — — US disclosed
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