Fluorobenzene

Fluorobenzene

SCHEMBL27853091

CCC1CCCCN1CC(=O)O.Fc1ccccc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
ALOX15 P16050 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.50
LTA4H P09960 1/20 0.46
ATM Q13315 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 1/20 0.44
GRIN2B Q13224 1/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
OPRD1 P41143 1/20 0.43
POLB P06746 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
SCHEMBL717017 0.85 MEN1 (0.49) LMNAALOX15CRHBPCRHR2MEN1
SCHEMBL499847 0.81 MEN1 (0.44) LMNAALOX15CRHBPCRHR2MEN1
SCHEMBL14645788 0.78 NPC1 (0.52) LMNAALOX15CRHBPCRHR2MEN1
SCHEMBL5967654 0.77 LTA4H (0.50) LMNAALDH1A1LTA4HMAPTOPRD1
SCHEMBL27839561 0.73 RIPK1 (0.45) MEN1KMT2AALDH1A1LTA4HHPGD
SCHEMBL634686 0.73 RIPK1 (0.45) MEN1KMT2AALDH1A1LTA4HHPGD
SCHEMBL15466212 0.73 ITGA4 (0.57) LMNAALOX15CRHBPCRHR2MEN1
SCHEMBL9678516 0.73 CYP1A2 (0.43) LMNAALOX15CRHBPCRHR2MEN1
SCHEMBL7697264 0.73 ALDH1A1 (0.50) LMNAALDH1A1LTA4HMAPTOPRD1
SCHEMBL6092369 0.72 KDM4E (0.58) MEN1KMT2AALDH1A1LTA4HHPGD

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
CN-102459246-A Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2012-05-16 CN disclosed