SCHEMBL4003333

SCHEMBL4003333

O=C(c1c(-c2ccccc2)[c]ncc1F)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
HPGD P15428 10/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 5/20 0.45
TSHR P16473 4/20 0.43
RECQL P46063 1/20 0.43
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 4/20 0.42
RAB9A P51151 3/20 0.42
HTT P42858 1/20 0.41
GLA P06280 1/20 0.39
CNR1 P21554 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3996425 0.89 TSHR (0.49) LMNAHPGDKMT2ATSHRNPC1
SCHEMBL3752062 0.85 HPGD (0.47) LMNAHPGDMAPK1KMT2ATSHR
SCHEMBL3765786 0.84 HPGD (0.46) LMNAHPGDMAPK1KMT2ATSHR
SCHEMBL3759329 0.83 HPGD (0.44) LMNAHPGDMAPK1KMT2ATSHR
SCHEMBL3764989 0.82 SMN1; SMN2 (0.44) LMNAHPGDMAPK1KMT2ATSHR
SCHEMBL3751655 0.81 KMT2A (0.45) LMNAHPGDMAPK1KMT2ATSHR
SCHEMBL3754775 0.80 KMT2A (0.44) LMNAHPGDMAPK1KMT2ATSHR
SCHEMBL3763874 0.80 KMT2A (0.44) LMNAHPGDMAPK1KMT2ATSHR
SCHEMBL3760043 0.79 SMN1; SMN2 (0.44) HPGDMAPK1KMT2ATSHRRECQL
SCHEMBL3758808 0.76 TSHR (0.50) LMNAHPGDMAPK1KMT2ATSHR

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-2009071895-A1 FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed