SCHEMBL10891799

SCHEMBL10891799

C=CCn1cnc2cc(I)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
FGFR1 P11362 1/20 0.36
GAA P10253 1/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
TNF P01375 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL1539099 0.81 FGFR1 (0.46) MAPTHSD17B10NPC1RAB9AMEN1
SCHEMBL19848314 0.81 ALDH1A1 (0.47) MAPTHSD17B10NPC1RAB9AMEN1
SCHEMBL6536735 0.81 PRPS1 (0.42) MAPTHSD17B10TDP1NPC1RAB9A
SCHEMBL10893089 0.81 NPC1 (0.46) MAPTHSD17B10TDP1NPC1RAB9A
SCHEMBL623907 0.81 MAPT (0.64) MAPTHSD17B10TDP1NPC1RAB9A
SCHEMBL11234727 0.80 POLB (0.36) MAPTHSD17B10TDP1MEN1KMT2A
SCHEMBL326813 0.80 TDP1 (0.63) TDP1CYP11B1CYP11B2TNFSMN1; SMN2
SCHEMBL6128998 0.79 POLB (0.43) MAPTHSD17B10NPC1RAB9AMEN1
Bromide SCHEMBL11005339 0.78 TDP1 (0.61) TDP1CYP11B1CYP11B2TNFSMN1; SMN2
SCHEMBL7643046 0.77 FGFR1 (0.50) MAPTHSD17B10TDP1NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0088595-B1 CYANINE DYES FOR SENSITIZING SILVER HALIDE EMULSIONS TO INFRARED RADIATION AND PHOTOGRAPHIC ELEMENTS INCLUDING THEM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1986-09-24 EP disclosed
US-4515888-A BASED ON 5-METHYL-6-METHOXYBENZOTHIAZOLE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-05-07 US disclosed
EP-0088595-A2 Cyanine dyes for sensitizing silver halide emulsions to infrared radiation and photographic elements including them MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1983-09-14 EP disclosed