SCHEMBL31430254

SCHEMBL31430254

CC1CCC(c2ccc3c(c2)OC2(CCN(C)CC2)C3)NC1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.32
▸ HDAC3 O15379 2/20 0.31
▸ HDAC4 P56524 2/20 0.31
▸ HDAC1 Q13547 2/20 0.31
▸ HDAC7 Q8WUI4 2/20 0.31
▸ HDAC2 Q92769 2/20 0.31
▸ HDAC10 Q969S8 2/20 0.31
▸ HDAC11 Q96DB2 2/20 0.31
▸ HDAC8 Q9BY41 2/20 0.31
▸ HDAC6 Q9UBN7 2/20 0.31
▸ HDAC9 Q9UKV0 2/20 0.31
▸ HDAC5 Q9UQL6 2/20 0.31

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
SCHEMBL25336042 1.00 KMT2A (0.32) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL31515307 1.00 KMT2A (0.32) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL31430304 0.91 HDAC3 (0.33) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL31515299 0.85 — —
SCHEMBL31515263 0.82 — —
SCHEMBL25336972 0.81 PDE4A (0.38) KMT2A
SCHEMBL31515334 0.81 HRH3 (0.39) —
SCHEMBL31515185 0.80 HRH3 (0.37) —
SCHEMBL25335584 0.80 PDE4A (0.37) —
Lithium Ion SCHEMBL30514962 0.80 PDE4A (0.37) —

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-2025092818-A1 PYRIDINE DERIVATIVE AND USE THEREOF IN MEDICINE 康百达(四川)生物医药科技有限公司 2025-05-08 — — WO disclosed
CN-119462695-A Pyridine derivative and application thereof 康百达(四川)生物医药科技有限公司 2025-02-18 — — CN disclosed
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