SCHEMBL28779576

SCHEMBL28779576

CCOC(=O)c1ccc(-c2cccnc2)nc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.60
RAB9A P51151 6/20 0.57
MAPT P10636 5/20 0.57
NPC1 O15118 4/20 0.57
KDM4E B2RXH2 3/20 0.57
POLB P06746 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
ATM Q13315 2/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
MDM2 Q00987 1/20 0.56
CDC7 O00311 2/20 0.51
DBF4 Q9UBU7 2/20 0.51
MMP2 P08253 1/20 0.51

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
SCHEMBL4434197 0.86 MDM2 (0.67) RAB9AMAPTNPC1KDM4ENFKB1
SCHEMBL29647658 0.82 P2RX7 (0.54) RAB9AMAPTNPC1KDM4EPOLB
SCHEMBL28779577 0.82 P2RX7 (0.54) RAB9AMAPTNPC1KDM4EPOLB
SCHEMBL3517715 0.82 RAB9A (0.59) DCTPP1RAB9AMAPTNPC1KDM4E
SCHEMBL3228832 0.82 DCTPP1 (0.64) DCTPP1RAB9AMAPTNPC1KDM4E
SCHEMBL25866687 0.80 SMN1; SMN2 (0.65) RAB9AMAPTNPC1KDM4EMEN1
SCHEMBL31437233 0.79 KDM4E (0.60) DCTPP1RAB9AMAPTNPC1KDM4E
SCHEMBL4426818 0.79 RAB9A (0.60) RAB9AMAPTNPC1KDM4EPOLB
SCHEMBL31437286 0.79 KDM4E (0.60) DCTPP1RAB9AMAPTNPC1KDM4E
SCHEMBL26674748 0.79 KDM4E (0.60) DCTPP1RAB9AMAPTNPC1KDM4E

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
CN-110156672-B Preparation method of semicarbazide compound and application of prepared compound 浙江师范大学 2022-06-10 CN claimed