SCHEMBL7396158

SCHEMBL7396158

Brc1ccccc1Cn1c(-c2ccc3c(c2)OCO3)nc2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
MAPT P10636 4/20 0.55
HTT P42858 4/20 0.55
LMNA P02545 4/20 0.55
NPSR1 Q6W5P4 2/20 0.53
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TP53 P04637 3/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
FLT3 P36888 1/20 0.45
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 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
SCHEMBL7394475 0.86 TP53 (0.66) TSHRMAPTHTTLMNAALDH1A1
SCHEMBL7395368 0.85 TSHR (0.52) TSHRMAPTHTTLMNAALDH1A1
SCHEMBL7394378 0.85 ALDH1A1 (0.63) TSHRMAPTHTTLMNANPSR1
SCHEMBL7394081 0.85 TP53 (0.54) TSHRMAPTHTTLMNANPSR1
SCHEMBL7386264 0.82 KCNK13 (0.55) TSHRMAPTHTTLMNANPSR1
SCHEMBL7392863 0.81 KDM4E (0.52) TSHRMAPTHTTLMNAALDH1A1
SCHEMBL7393927 0.81 MAPT (0.55) TSHRMAPTHTTLMNANPSR1
SCHEMBL23120167 0.80 TP53 (0.70) TSHRMAPTHTTLMNANPSR1
SCHEMBL29949283 0.80 TP53 (0.70) TSHRMAPTHTTLMNANPSR1
SCHEMBL7389782 0.80 KDM4E (0.61) TSHRMAPTHTTLMNANPSR1

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-6130333-A VISION DEFECTS; CARDIOVASCULAR DISORDERS MONSANTO COMPANY (US) 2000-10-10 US disclosed