SCHEMBL11054271

SCHEMBL11054271

COc1ccc2c(c1)ncn2Sn1cnc2cc(OC)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 6/20 0.56
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 3/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 1/20 0.45
MAPK10 P53779 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
KDR P35968 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL230452 0.79 FGFR1 (0.59) FGFR1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL4580483 0.77 FGFR1 (0.58) FGFR1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL19848367 0.77 FGFR1 (0.59) FGFR1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL11055266 0.77 FGFR1 (0.53) FGFR1ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL19911344 0.76 FGFR1 (0.56) FGFR1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL6758619 0.75 NPC1 (0.65) FGFR1ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL19848228 0.75 FGFR1 (0.55) FGFR1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL18937429 0.75 FGFR1 (0.55) FGFR1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL9678510 0.74 FGFR1 (0.47) FGFR1ALDH1A1HTTHPGDMAPK1
SCHEMBL19848128 0.73 FGFR1 (0.54) FGFR1ALDH1A1SMN1; SMN2MAPTHTT

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-4440933-A HISTAMINE H2-RECEPTOR ANTAGONISTS BRISTOL-MYERS COMPANY (US) 1984-04-03 US disclosed