SCHEMBL8370165

SCHEMBL8370165

CC1Oc2cc3c(cc2O1)/C(=C\C(=O)O)NCC3

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
KDM4E B2RXH2 1/20 0.38
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31

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
SCHEMBL6488098 0.82 KDM4E (0.59) KMT2AMEN1KDM4E
SCHEMBL6488102 0.82 KDM4E (0.59) KMT2AMEN1KDM4E
SCHEMBL6488092 0.82 KDM4E (0.59) KMT2AMEN1KDM4E
SCHEMBL6476988 0.73 KMT2A (0.68) KMT2AMEN1KDM4E
SCHEMBL7048394 0.69 KMT2A (0.54) KMT2AMEN1KDM4E
SCHEMBL3865953 0.69 KMT2A (0.54) KMT2AMEN1KDM4E
SCHEMBL7048398 0.69 KMT2A (0.54) KMT2AMEN1KDM4E
SCHEMBL7048396 0.69 KMT2A (0.54) KMT2AMEN1KDM4E
SCHEMBL19721184 0.68 KDM4E (0.51) KMT2AMEN1KDM4E
SCHEMBL6485267 0.67 PDPK1 (0.53) KMT2AMEN1KDM4EPARP10PARP11

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
WO-2003014116-A1 PYRROLO[2.1-A]ISOQUINOLINE DERIVATIVES BAYER CORPORATION (US) 2003-02-20 WO disclosed