SCHEMBL30708145

SCHEMBL30708145

COC(=O)c1cc2c(c(OC)c1)OC(C)(C)C2

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.45
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CNR2 P34972 1/20 0.39
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SLC29A1 Q99808 1/20 0.38

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
SCHEMBL644389 1.00 KMT2A (0.46) KMT2ALMNANPC1RAB9AMAPT
SCHEMBL30522176 0.87 KMT2A (0.55) KMT2ALMNANPC1RAB9AALDH1A1
SCHEMBL643938 0.87 CA12 (0.47) KMT2ALMNANPC1RAB9ACNR2
SCHEMBL25139946 0.87 KMT2A (0.55) KMT2ALMNANPC1RAB9AALDH1A1
SCHEMBL25139948 0.83 KMT2A (0.47) KMT2ALMNANPC1RAB9AMAPT
SCHEMBL25139713 0.83 KMT2A (0.47) KMT2ALMNANPC1RAB9AMAPT
SCHEMBL3626546 0.83 LMNA (0.39) KMT2ALMNANPC1RAB9AMAPT
SCHEMBL2321653 0.82 KMT2A (0.41) KMT2ALMNANPC1RAB9AMAPT
SCHEMBL30522177 0.79 KMT2A (0.42) KMT2ALMNANPC1RAB9AMAPT
SCHEMBL30522178 0.79 KMT2A (0.42) KMT2ALMNANPC1RAB9AMAPT

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-117561058-A CDK2 inhibitors and methods of use thereof 塞迪拉治疗股份有限公司 2024-02-13 CN disclosed