SCHEMBL28056200

SCHEMBL28056200

FC(F)(F)Oc1ccc2ncoc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 2/20 0.43
SCN4A P35499 2/20 0.43
SCN9A Q15858 2/20 0.43
GMNN O75496 1/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
SLC6A2 P23975 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 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
SCHEMBL15750040 0.86 DYRK1A (0.41) NPC1RAB9ASMN1; SMN2LMNASCN4A
SCHEMBL29802364 0.78 RAB9A (0.67) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL26932325 0.78 RAB9A (0.67) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL926856 0.77 KDM4E (0.48) NPC1RAB9ASMN1; SMN2LMNACYP1A2
SCHEMBL8975216 0.74 KMT2A (0.47) NPC1RAB9ASMN1; SMN2LMNAUSP2
SCHEMBL28056267 0.73 KDM4E (0.49) NPC1RAB9ASMN1; SMN2LMNASCN4A
SCHEMBL17848625 0.71 APP (0.49) NPC1RAB9ASMN1; SMN2LMNADYRK1A
SCHEMBL19914297 0.70 NPC1 (0.44) NPC1RAB9ASMN1; SMN2LMNASCN4A
SCHEMBL21066386 0.70 NPC1 (0.44) NPC1RAB9ASMN1; SMN2LMNASCN4A
SCHEMBL12357591 0.70 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2LMNASCN4A

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
CN-113166156-B Tyrosine kinase inhibitors, compositions and methods 贝达药业股份有限公司 2024-02-27 CN claimed
CN-113166156-B Tyrosine kinase inhibitors, compositions and methods 贝达药业股份有限公司 2024-02-27 CN disclosed
CN-105431427-A Novel PDE4 inhibitor MEIJI SEIKA PHARMA CO LTD 2016-03-23 CN disclosed