SCHEMBL1665385

SCHEMBL1665385

O=C(CCNC(=O)c1ccc(Nc2ccc(N3CCC(O)CC3)cc2)cc1)Nc1ccc2cc[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.45
HDAC1 Q13547 4/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
TNIK Q9UKE5 1/20 0.42
TERT O14746 4/20 0.41
SMYD3 Q9H7B4 1/20 0.41
ALDH1A1 P00352 2/20 0.39
CHRNA7 P36544 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 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
SCHEMBL1665387 0.94 ESR1 (0.50) ESR1HDAC1HDAC2HDAC3HDAC4
SCHEMBL1664909 0.86 ESR1 (0.58) ESR1HDAC8HDAC6TNIKCHRNA7
SCHEMBL1664449 0.83 ESR1 (0.52) ESR1HDAC8HDAC6TNIKSMYD3
SCHEMBL1664446 0.81 RAB9A (0.51) ESR1TNIKSMYD3ALDH1A1CHRNA7
SCHEMBL8770838 0.78 ESR1 (0.55) ESR1TNIKALDH1A1KDM4EMAPT
SCHEMBL1665857 0.78 MAOA (0.52) ESR1TNIKCHRNA7KDM4EMAPT
SCHEMBL1665855 0.77 MAOA (0.53) ESR1TNIKCHRNA7MAPTPOLB
SCHEMBL1664045 0.77 KMT2A (0.48) ESR1TNIKALDH1A1CHRNA7MAPT
SCHEMBL1666390 0.75 ESR1 (0.52) ESR1TNIKCHRNA7MAPTPOLB
SCHEMBL27918378 0.74 ESR1 (0.50) ESR1TNIKCHRNA7KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed