SCHEMBL2407262

SCHEMBL2407262

O=C(Cc1ccc2c(c1)OCO2)NCCc1ccc(C(=O)NO)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.61
HDAC2 Q92769 3/20 0.61
HDAC8 Q9BY41 1/20 0.59
RAB9A P51151 6/20 0.59
NPC1 O15118 5/20 0.59
KMT2A Q03164 2/20 0.59
HDAC6 Q9UBN7 3/20 0.57
HSP90AA1 P07900 1/20 0.55
HPGD P15428 1/20 0.53
LMNA P02545 2/20 0.53
ALDH1A1 P00352 1/20 0.53
THRB P10828 1/20 0.53
HDAC3 O15379 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 1/20 0.50
NAMPT P43490 1/20 0.50

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
SCHEMBL179020 0.87 NPC1 (0.63) HDAC1HDAC2HDAC8RAB9ANPC1
SCHEMBL2408888 0.86 RAB9A (0.77) HDAC1HDAC2HDAC8RAB9ANPC1
Piperonylic Acid SCHEMBL4741337 0.84 RAB9A (0.59) HDAC1HDAC8RAB9ANPC1KMT2A
SCHEMBL4991221 0.81 HDAC1 (0.63) HDAC1HDAC2HDAC8RAB9ANPC1
SCHEMBL2408431 0.81 RAB9A (0.73) HDAC1HDAC2RAB9ANPC1KMT2A
SCHEMBL6781831 0.80 HSP90AA1 (0.82) HDAC1HDAC2NPC1KMT2AHDAC6
SCHEMBL107323 0.78 RAB9A (0.81) HDAC1RAB9ANPC1KMT2AHDAC6
SCHEMBL2405328 0.78 MCHR1 (0.60) HDAC1HDAC2HDAC8KMT2AHDAC6
SCHEMBL179083 0.78 LMNA (0.64) HDAC1HDAC2HDAC8RAB9ANPC1
SCHEMBL24513888 0.78 NPC1 (0.67) RAB9ANPC1KMT2AHPGDLMNA

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-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed