SCHEMBL20041515

SCHEMBL20041515

Cc1ccc2nc(C)n(-c3ccccc3O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 3/20 0.40
KDM4E B2RXH2 1/20 0.40
KCNMA1 Q12791 1/20 0.40
NQO2 P16083 1/20 0.40
ACSS2 Q9NR19 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL20041464 0.84 TSHR (0.70) TSHRLMNAGAAALDH1A1MAPK1
SCHEMBL20041714 0.82 TSHR (0.58) TSHRLMNANPC1RAB9AGAA
SCHEMBL1104809 0.78 HTT (0.69) TSHRNPC1ALDH1A1MAPK1HTT
SCHEMBL1708108 0.72 POLB (0.53) TSHRLMNARAB9AGAAALDH1A1
SCHEMBL15631604 0.72 TSHR (0.71) TSHRLMNANPC1RAB9AGAA
SCHEMBL19486460 0.71 TSHR (0.82) TSHRLMNANPC1RAB9AALDH1A1
SCHEMBL6135958 0.70 NPC1 (0.71) LMNANPC1RAB9AGAAALDH1A1
SCHEMBL13080878 0.70 TSHR (0.73) TSHRLMNANPC1RAB9AALDH1A1
SCHEMBL31259081 0.69 HCAR1 (0.51) TSHRLMNANPC1RAB9AALDH1A1
SCHEMBL26528200 0.69 NQO2 (0.39) TSHRLMNARAB9AGAAALDH1A1

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