SCHEMBL14117656

SCHEMBL14117656

Nc1ccc(C(=O)N2CCC(CCO)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.55
CCR3 P51677 1/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
AKR1C3 P42330 2/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48

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
SCHEMBL12460079 0.88 MGLL (0.57) MGLLCCR3CA12CA1CA2
SCHEMBL21078088 0.85 KMT2A (0.61) MGLLAKR1C3HDAC3HDAC4HDAC1
SCHEMBL7320522 0.84 HDAC3 (0.64) MGLLAKR1C3HDAC3HDAC4HDAC1
SCHEMBL25442214 0.84 ALDH1A1 (0.61) MGLLAKR1C3HDAC3HDAC4HDAC1
SCHEMBL23884836 0.82 AKR1C3 (0.47) CA12CA1CA2CA7CA9
SCHEMBL20632698 0.81 ALDH1A1 (0.52) AKR1C3L3MBTL3L3MBTL1
SCHEMBL6339480 0.81 L3MBTL3 (0.56) MGLLCCR3CA12CA1CA2
SCHEMBL3001302 0.79 MGLL (0.61) MGLLCA12CA1CA2CA7
SCHEMBL31267062 0.79 MGLL (0.61) MGLLCA12CA1CA2CA7
SCHEMBL13575475 0.79 MGLL (0.61) MGLLCA12CA1CA2CA7

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-2008079719-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. (US) 2008-07-03 WO disclosed