SCHEMBL8912491

SCHEMBL8912491

O=C(NCCC1Cc2ccc(-c3ccc(=O)[nH]n3)cc2C1)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRB P10828 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NAMPT P43490 4/20 0.39
WNT1 P04628 1/20 0.39

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
SCHEMBL8912991 0.91 ALDH1A1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8911327 0.89 P2RX7 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8911947 0.82 P2RX7 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8912624 0.82 P2RX7 (0.40) MEN1KMT2ACYP1A2CYP2C19
SCHEMBL8292401 0.81 GRIA2 (0.41) HDAC8CYP1A2
SCHEMBL8912147 0.80 KDM4E (0.40) DYRK1ACYP1A2CYP3A4CYP2C9
SCHEMBL8912740 0.79 PDE3B (0.46) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8911348 0.79 PDE3B (0.39) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL8912358 0.76 PDE3B (0.38) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL8110044 0.75 EPHX2 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5605901-A THERAPY FOR GRAM-NEGATIVE BACTERIA, NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1997-02-25 US claimed
US-5543409-A Indane derivatives for treating endotoxin shock and/or nephritis TANABE SEIYAKU CO., LTD. (JP) 1996-08-06 US claimed
EP-0661274-A1 Indane derivatives, processes for preparing the same and synthetic intermediate of the same TANABE SEIYAKU CO., LTD. (JP) 1995-07-05 EP claimed