SCHEMBL30723299

SCHEMBL30723299

CCOC(=O)C(CC1CCn2c1nc1ccc(Br)cc1c2=O)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 1/20 0.39
CACNA2D1 P54289 5/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 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
SCHEMBL30723298 0.90 SMN1; SMN2 (0.43) ATMMAPTALDH1A1KDM4EGAA
SCHEMBL30723318 0.88 KMT2A (0.43) MAPTALDH1A1KDM4EPOLBGAA
SCHEMBL30723329 0.88 ALDH1A1 (0.45) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL30723297 0.87 ALDH1A1 (0.47) ATMMAPTALDH1A1KDM4EPOLB
SCHEMBL30723314 0.86 ACHE (0.54) ATMMAPTALDH1A1KDM4EKMT2A
SCHEMBL30723337 0.84 KMT2A (0.36) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL30723323 0.83 MAPK1 (0.48) ALDH1A1KDM4EGAASMN1; SMN2CYP1A1
SCHEMBL29152982 0.82 HSD17B10 (0.45) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL30723308 0.82 GAA (0.39) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL30723322 0.80 MAPT (0.36) ATMMAPTALDH1A1KDM4EKMT2A

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-117486887-A Polycyclic pyrimidine-4-ketone compound and preparation method and application thereof 昆明学院 2024-02-02 CN disclosed