SCHEMBL28530205

SCHEMBL28530205

CN(C)c1ccc(-c2n[c]c[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
AURKA O14965 8/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
GUSB P08236 1/20 0.39
RAB9A P51151 1/20 0.39
TCF4 P15884 1/20 0.39
CTNNB1 P35222 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
KIF11 P52732 1/20 0.38
NOTUM Q6P988 1/20 0.37

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
SCHEMBL28536156 0.79 NISCH (0.47) MAPTSMN1; SMN2ALDH1A1TSHRNPC1
SCHEMBL4041670 0.75 MTOR (0.41) ALDH1A1HSD17B10KDM4ENPC1RAB9A
SCHEMBL4049587 0.75 ALDH1A1 (0.41) MAPTSMN1; SMN2ALDH1A1ALOX15HSD17B10
SCHEMBL28527366 0.74 KDM4E (0.46) MAPTSMN1; SMN2ALDH1A1NOX1AURKA
SCHEMBL403894 0.74 MTOR (0.43) MAPTALDH1A1ALOX15KDM4ENPC1
SCHEMBL10866586 0.72 MAPT (0.44) MAPTSMN1; SMN2ALDH1A1ALOX15TSHR
SCHEMBL1119442 0.70 GFER (0.46) KDM4ENPC1RAB9AKIF11NOTUM
SCHEMBL11053022 0.70 MAPT (0.50) MAPTSMN1; SMN2ALDH1A1ALOX15TSHR
SCHEMBL2090572 0.69 ALDH1A1 (0.33) MAPTSMN1; SMN2ALDH1A1ALOX15TSHR
SCHEMBL771362 0.68 NISCH (0.63) MAPTSMN1; SMN2ALDH1A1ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396505-A Methods of treating inflammation 维鲁公司 2024-01-12 CN disclosed
CN-115379835-A Methods of treating coronavirus 维鲁公司 2022-11-22 CN disclosed
CN-112512522-A Compounds for the treatment of triple negative breast and ovarian cancer 田纳西大学研究基金会 2021-03-16 CN disclosed
CN-112437664-A Compounds for the treatment of pancreatic cancer 田纳西大学研究基金会 2021-03-02 CN disclosed