SCHEMBL11527449

SCHEMBL11527449

C=C(C)C(=O)NCc1cc(C)cc(=O)n1C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
IDH1 O75874 6/20 0.36
RXFP1 Q9HBX9 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
PKM P14618 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL11531253 0.77 IDH1 (0.37) KMT2AIDH1GPR84
SCHEMBL4794063 0.71 POLB (0.60)
SCHEMBL11527852 0.71 EZH2 (0.41) KMT2A
SCHEMBL11860366 0.69 MAPT (0.50) KMT2A
SCHEMBL15075401 0.69 GPR84 (0.49) IDH1GPR84
SCHEMBL5024307 0.66 SMN1; SMN2 (0.56) KMT2A
SCHEMBL11527025 0.66 TDP1 (0.32)
SCHEMBL731190 0.64 KMT2A (0.50) KMT2A
SCHEMBL207449 0.64 MEN1 (0.41) KMT2A
SCHEMBL730868 0.63 POLB (0.53) KMT2APKM

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-4159202-A PHOTOCOPYING HOECHST AKTIENGESELLSCHAFT (DE) 1979-06-26 US disclosed