SCHEMBL8549452

SCHEMBL8549452

COc1ccc(CCNC(=O)C2CC2)cc1C

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
MEN1 O00255 2/20 0.61
ALDH1A1 P00352 8/20 0.58
TSHR P16473 1/20 0.58
KDM4E B2RXH2 1/20 0.58
MAPT P10636 1/20 0.58
GAA P10253 1/20 0.57
PTBP1 P26599 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL7417537 0.95 KMT2A (0.59) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL7838949 0.89 KMT2A (0.74) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL3351763 0.86 KMT2A (0.60) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL8098121 0.84 KMT2A (0.71) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL8747121 0.84 KMT2A (0.71) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL7279475 0.84 ALDH1A1 (0.71) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL7279469 0.84 ALDH1A1 (0.71) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL11735352 0.83 ALDH1A1 (0.72) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL8928239 0.82 KMT2A (0.65) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL10133353 0.77 KMT2A (0.65) KMT2AMEN1ALDH1A1TSHRKDM4E

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
EP-0707570-B1 ISOQUINOLINE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1998-05-06 EP disclosed