SCHEMBL7315155

SCHEMBL7315155

O=C(On1nnc2ccccc21)c1ccc(-c2nnc(-c3ccc(OCCCCCOc4ccccc4)cc3)s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.57
HDAC2 Q92769 9/20 0.57
HDAC6 Q9UBN7 7/20 0.57
HDAC8 Q9BY41 6/20 0.57
HDAC3 O15379 3/20 0.57
HDAC4 P56524 3/20 0.57
HDAC7 Q8WUI4 3/20 0.57
HDAC10 Q969S8 3/20 0.57
HDAC11 Q96DB2 3/20 0.57
HDAC9 Q9UKV0 3/20 0.57
HDAC5 Q9UQL6 3/20 0.57
MGAM O43451 1/20 0.47
AMY1A P0DUB6 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
SIRT2 Q8IXJ6 2/20 0.47
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL7326470 0.99 HDAC1 (0.58) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL6539826 0.97 HDAC1 (0.58) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL7311132 0.93 HDAC1 (0.60) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL6538924 0.93 HDAC1 (0.57) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL6132961 0.93 HDAC1 (0.60) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL7322834 0.93 HDAC1 (0.60) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL6538507 0.92 HDAC1 (0.60) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL6380532 0.89 HDAC1 (0.54) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL6134459 0.89 HDAC1 (0.61) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL6134817 0.87 HDAC1 (0.56) HDAC1HDAC2HDAC6HDAC8HDAC3

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
US-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed