SCHEMBL7960871

SCHEMBL7960871

NCCNCCNC(=O)c1c[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.60
HDAC2 Q92769 3/20 0.60
HDAC3 O15379 3/20 0.60
HDAC4 P56524 2/20 0.60
HDAC7 Q8WUI4 2/20 0.60
HDAC10 Q969S8 2/20 0.60
HDAC11 Q96DB2 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
HDAC9 Q9UKV0 2/20 0.60
HDAC5 Q9UQL6 2/20 0.60
ADAM17 P78536 1/20 0.52
ALDH1A1 P00352 1/20 0.51
ATM Q13315 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SIRT1 Q96EB6 1/20 0.51
GPR84 Q9NQS5 1/20 0.50
SSTR3 P32745 1/20 0.49
POLB P06746 2/20 0.49

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
SCHEMBL7960865 0.85 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL20267057 0.83 HDAC1 (0.62) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL20182232 0.81 HDAC1 (0.63) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL10244787 0.81 HDAC1 (0.67) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL19445602 0.80 GPR84 (0.56) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL10288963 0.80 HDAC1 (0.62) HDAC1HDAC2HDAC3HDAC4HDAC7
Hydrochloric Acid SCHEMBL7960823 0.80 MEN1 (0.71) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL11418358 0.79 HTT (0.58) NPC1RAB9A
SCHEMBL17117417 0.78 POLB (0.77) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL16596188 0.78 HDAC1 (0.71) HDAC1HDAC2HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001055109-A1 AROMATIC AMIDES ACTING ON MELANOCORTIN RECEPTORS MELACURE THERAPEUTICS AB (SE) 2001-08-02 WO claimed
WO-2001055109-A1 AROMATIC AMIDES ACTING ON MELANOCORTIN RECEPTORS MELACURE THERAPEUTICS AB (SE) 2001-08-02 WO disclosed