SCHEMBL3348673

SCHEMBL3348673

COC(=O)c1cc(Br)cc(C(=O)NCCc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.65
NPC1 O15118 10/20 0.65
KDM5B Q9UGL1 1/20 0.61
HDAC2 Q92769 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
MGLL Q99685 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 3/20 0.55
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53

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
SCHEMBL3346059 0.86 RAB9A (0.72) RAB9ANPC1KDM5BHDAC2HDAC8
SCHEMBL7272416 0.83 MGLL (0.74) RAB9ANPC1KDM5BHDAC2HDAC8
SCHEMBL4747063 0.82 KDM5B (0.56) RAB9ANPC1KDM5BHDAC2HDAC8
SCHEMBL1925938 0.82 L3MBTL1 (0.58) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL20471980 0.81 RAB9A (0.68) RAB9ANPC1HDAC2HDAC8HDAC6
SCHEMBL4694649 0.80 MCHR1 (0.55) RAB9ANPC1KDM5BHDAC2HDAC8
SCHEMBL10160200 0.80 KDM5B (0.69) RAB9ANPC1KDM5BHDAC2HDAC8
SCHEMBL20472171 0.80 AKR1C3 (0.67) RAB9ANPC1HDAC2HDAC8HDAC6
SCHEMBL29818055 0.79 RAB9A (1.00) RAB9ANPC1KDM5BHDAC2HDAC8
SCHEMBL20804537 0.79 SMN1; SMN2 (0.60) RAB9ANPC1HDAC2HDAC8HDAC6

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-2010042030-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-04-15 WO disclosed