SCHEMBL9724230

SCHEMBL9724230

CC1=Nc2cc(C)c(C)cc2C(=O)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.32
HTT P42858 1/20 0.30

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
SCHEMBL12951732 0.80 KMT2A (0.38) MAPK1KMT2AHTT
SCHEMBL12950783 0.78 KMT2A (0.39) MAPK1KMT2APOLBHTT
SCHEMBL20907232 0.78 HTT (0.38) KMT2AHTT
SCHEMBL9181853 0.77 KMT2A (0.47) MAPK1KMT2AHTT
SCHEMBL11705079 0.75 NPC1 (0.31) POLB
SCHEMBL9182433 0.74 KMT2A (0.40) MAPK1KMT2AHTT
SCHEMBL12951458 0.74 PBRM1 (0.41) MAPK1KMT2A
SCHEMBL9380054 0.72 MAPT (0.41) MAPK1KMT2A
SCHEMBL9724132 0.72 KCNJ1 (0.36) MAPK1KMT2APOLB
SCHEMBL9180114 0.71 CASP3 (0.39) MAPK1KMT2A

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
US-5112837-A Inhibitors of thymidylate synthetase enzyme IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-05-12 US disclosed