SCHEMBL8912757

SCHEMBL8912757

NC(=O)C(F)c1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.46
CNR2 P34972 2/20 0.45
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
NFKB1 P19838 1/20 0.40
SLC9A1 P19634 1/20 0.39
KCNN4 O15554 2/20 0.39
CACNA2D1 P54289 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNB1 Q02641 1/20 0.38
CACNA1C Q13936 1/20 0.38
MAOB P27338 1/20 0.38
AKR1C3 P42330 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37

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
SCHEMBL5638207 0.83 ACP3 (0.51) ACP3CNR2LMNAGAANFKB1
SCHEMBL1061610 0.83 ACP3 (0.47) ACP3CNR2LMNAGAANFKB1
SCHEMBL3484289 0.83 ACP3 (0.51) ACP3CNR2LMNAGAANFKB1
SCHEMBL7472384 0.81 ACP3 (0.46) ACP3CNR2LMNAGAANFKB1
SCHEMBL7979002 0.81 ACP3 (0.46) ACP3CNR2LMNAGAANFKB1
SCHEMBL4590418 0.80 ACP3 (0.45) ACP3CNR2LMNAGAANFKB1
SCHEMBL4778256 0.80 ACP3 (0.45) ACP3CNR2LMNAGAAAKR1C3
SCHEMBL7431712 0.80 ACP3 (0.45) ACP3CNR2LMNAGAANFKB1
Hydrochloric Acid SCHEMBL6559016 0.79 ACP3 (0.44) ACP3CNR2LMNAGAAAKR1C3
SCHEMBL7471669 0.79 ACP3 (0.44) ACP3CNR2LMNAGAANFKB1

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-5686492-A NMR DIAGNOSTIC AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1997-11-11 US disclosed