SCHEMBL8911327

SCHEMBL8911327

O=C(NCCC1Cc2ccc(-c3ccc(=O)[nH]n3)cc2C1)c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NAMPT P43490 1/20 0.36
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
RAB9A P51151 1/20 0.35
NAAA Q02083 1/20 0.35
APOB P04114 1/20 0.35

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
SCHEMBL8912491 0.89 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8911348 0.82 PDE3B (0.39) P2RX7MEN1KMT2APDE3BPDE3A
SCHEMBL8912624 0.82 P2RX7 (0.40) P2RX7MEN1KMT2APDE3BPDE3A
SCHEMBL8911947 0.82 P2RX7 (0.40) P2RX7HDAC3HDAC4HDAC1HDAC7
SCHEMBL8912358 0.79 PDE3B (0.38) P2RX7MEN1KMT2APDE3BPDE3A
SCHEMBL8912991 0.79 ALDH1A1 (0.41) P2RX7HDAC3HDAC4HDAC1HDAC7
SCHEMBL8911337 0.78 PDE3B (0.35) P2RX7MEN1KMT2APDE3BPDE3A
SCHEMBL8292411 0.77 PDE3B (0.42) P2RX7MEN1KMT2APDE3BPDE3A
SCHEMBL8912661 0.77 PDE3B (0.38) P2RX7HDAC3HDAC4HDAC1HDAC7
Bromide SCHEMBL8298175 0.76 PDE3B (0.41) P2RX7MEN1KMT2APDE3BPDE3A

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