SCHEMBL20041714

SCHEMBL20041714

Cc1ccc(O)c(-n2c(C)nc3ccccc32)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.56
RAB9A P51151 1/20 0.56
MAPK1 P28482 2/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 1/20 0.47
GFER P55789 1/20 0.47
ALPL P05186 2/20 0.44
ALPG P10696 2/20 0.44
ALPP P05187 1/20 0.44
PLAA Q9Y263 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PIK3CD O00329 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
SCHEMBL15631604 0.84 TSHR (0.71) TSHRNPC1LMNARAB9AMAPK1
SCHEMBL20041464 0.84 TSHR (0.70) TSHRLMNAMAPK1HTTALDH1A1
SCHEMBL20041515 0.82 TSHR (0.50) TSHRNPC1LMNARAB9AMAPK1
SCHEMBL13080878 0.80 TSHR (0.73) TSHRNPC1LMNARAB9AMAPK1
SCHEMBL17570830 0.79 TSHR (0.55) TSHRNPC1RAB9AMAPK1HTT
SCHEMBL19486460 0.78 TSHR (0.82) TSHRNPC1LMNARAB9AMAPK1
SCHEMBL23840294 0.78 TSHR (0.61) TSHRNPC1LMNARAB9AMAPK1
SCHEMBL29845601 0.76 KCNMA1 (0.67) TSHRNPC1LMNARAB9AMAPK1
SCHEMBL19486091 0.76 TSHR (0.67) TSHRLMNAMAPK1HTTALDH1A1
SCHEMBL890612 0.76 KCNMA1 (0.67) TSHRNPC1LMNARAB9AMAPK1

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
EP-2982676-B1 Benzimidazo[2,1-B]benzoxazoles for electronic applications IDEMITSU KOSAN CO (JP) 2018-04-11 EP disclosed