SCHEMBL27833985

SCHEMBL27833985

O=C(CBr)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.71
KDM4E B2RXH2 1/20 0.66
FABP4 P15090 1/20 0.62
SLC2A1 P11166 1/20 0.61
HPGD P15428 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
HTT P42858 3/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
LMNA P02545 2/20 0.56

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
SCHEMBL20219039 0.86 TSHR (0.76) TSHRKDM4EFABP4SLC2A1HPGD
SCHEMBL31023418 0.85 TSHR (0.73) TSHRKDM4EFABP4SLC2A1HPGD
SCHEMBL4002460 0.85 TSHR (0.73) TSHRKDM4EFABP4SLC2A1HPGD
SCHEMBL8481692 0.84 TSHR (0.59) TSHRKDM4EHPGDSMN1; SMN2MEN1
SCHEMBL4004069 0.84 CYP3A4 (0.69) KDM4ESMN1; SMN2MEN1KMT2AHTT
SCHEMBL7933287 0.83 TSHR (0.71) TSHRKDM4EFABP4SLC2A1HPGD
SCHEMBL10032004 0.83 TSHR (0.71) TSHRKDM4EFABP4SLC2A1HPGD
SCHEMBL15302068 0.83 TSHR (1.00) TSHRKDM4EFABP4SLC2A1HPGD
SCHEMBL9775876 0.82 TSHR (0.69) TSHRKDM4EFABP4SLC2A1HPGD
SCHEMBL10995578 0.81 TSHR (0.64) TSHRKDM4EFABP4SLC2A1HPGD

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-102120723-A Preparation method of 2-br-4-fluoacetanilide JINKAI LIAONING CHEMICAL CO LTD 2011-07-13 CN disclosed