SCHEMBL28065049

SCHEMBL28065049

C=C(C)C(=O)Oc1ccc(CN)cc1-n1nc2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.54
RAB9A P51151 9/20 0.54
ALDH1A1 P00352 8/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
HPGD P15428 7/20 0.47
KDM4E B2RXH2 7/20 0.47
MAPT P10636 6/20 0.47
TDP1 Q9NUW8 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 2/20 0.44
IGF2BP2 Q9Y6M1 1/20 0.43
THRB P10828 1/20 0.43
LMNA P02545 3/20 0.42
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL29575333 0.83 NPC1 (0.78) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL285733 0.83 NPC1 (0.78) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL27881225 0.81 NPC1 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL12269844 0.81 ALDH1A1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL14540375 0.79 ALDH1A1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL13231719 0.78 ALDH1A1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL31085351 0.78 ALDH1A1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL10729261 0.78 NPC1 (0.70) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL4253904 0.77 NPC1 (0.50) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL14907494 0.77 ALDH1A1 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105567260-B Functionalized photoreactive compounds 罗利克有限公司 2018-09-11 CN disclosed
CN-105567260-A Print Functionalized photoreactive compounds ROLIC AG 2016-05-11 CN disclosed