SCHEMBL5777913

SCHEMBL5777913

C=Cc1ccc2c(=O)c(C(=O)OCC)cn(C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.48
LMNA P02545 1/20 0.46
BAZ2B Q9UIF8 1/20 0.45
BAZ2A Q9UIF9 1/20 0.45
MCL1 Q07820 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PIM1 P11309 1/20 0.43
IRAK1 P51617 1/20 0.43
CAMK2B Q13554 1/20 0.43
CAMK2G Q13555 1/20 0.43
CAMK2D Q13557 1/20 0.43
PIM3 Q86V86 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 2/20 0.42
PKM P14618 1/20 0.42
P2RX3 P56373 1/20 0.42
ROCK2 O75116 1/20 0.42
CDK1 P06493 1/20 0.42
PRKACA P17612 1/20 0.42

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
SCHEMBL2279745 0.89 LMNA (0.47) KMT2AMEN1LMNABAZ2BBAZ2A
SCHEMBL15167978 0.84 MCL1 (0.46) KMT2AMEN1LMNABAZ2BBAZ2A
SCHEMBL10341233 0.83 GABRA1 (0.53) KMT2AMEN1LMNABAZ2BBAZ2A
SCHEMBL29640617 0.81 LMNA (0.65) KMT2AMEN1LMNABAZ2BBAZ2A
SCHEMBL5780551 0.81 LMNA (0.65) KMT2AMEN1LMNABAZ2BBAZ2A
SCHEMBL11524392 0.81 LMNA (0.49) KMT2AMEN1LMNABAZ2BBAZ2A
SCHEMBL6050608 0.81 KMT2A (0.49) KMT2AMEN1LMNABAZ2BBAZ2A
SCHEMBL6050613 0.81 BAZ2B (0.54) LMNABAZ2BBAZ2ATDP1PIM1
SCHEMBL2998174 0.81 MAP2K2 (0.52) KMT2AMEN1LMNABAZ2BBAZ2A
SCHEMBL7123197 0.81 KDM4E (0.46) KMT2AMEN1LMNAMCL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944619-B1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2006-10-11 EP disclosed
US-6358976-B1 FOR THERAPY AND PROPHYLAXIS OF CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, OR MACULAR DEGENERATION LANTHEUS MI REAL ESTATE, LLC 2002-03-19 US disclosed
US-6130231-A SUBSTITUTED 2,3-DIHYDROQUINOLIN-4-ONES DUPONT PHARMACEUTICALS (US) 2000-10-10 US disclosed