SCHEMBL27896388

SCHEMBL27896388

COc1ccccc1CC(=O)N1CC(O)CC1NC=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.45
▸ MEN1 O00255 4/20 0.44
▸ SIGMAR1 Q99720 3/20 0.43
▸ GAA P10253 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39

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
SCHEMBL27896421 0.85 KMT2A (0.42) KMT2AMEN1SIGMAR1GAAALDH1A1
SCHEMBL27879623 0.81 KMT2A (0.48) KMT2AMEN1SIGMAR1GAAALDH1A1
SCHEMBL27879637 0.80 CTSS (0.42) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL27896420 0.72 NAPRT (0.42) SIGMAR1ALDH1A1PARP1KDM4E
SCHEMBL28054810 0.71 PIK3CD (0.55) —
SCHEMBL13166880 0.70 ALDH1A1 (0.62) KMT2AMEN1SIGMAR1GAAALDH1A1
SCHEMBL27879627 0.69 VHL (0.65) KMT2A
SCHEMBL27896445 0.69 ATM (0.30) —
SCHEMBL5679866 0.66 KMT2A (0.74) KMT2AMEN1SIGMAR1GAAALDH1A1
SCHEMBL2236754 0.65 KMT2A (0.72) KMT2AMEN1SIGMAR1GAAALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102791693-B Hepatitis c virus inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2016-04-13 — — CN claimed
CN-102791693-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2012-11-21 — — CN claimed
Send feedback