SCHEMBL24005489

SCHEMBL24005489

CC(=O)N1CCN(C)C(c2ccccc2C2CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
NOTUM Q6P988 3/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
EPHX2 P34913 5/20 0.37
TDO2 P48775 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL25613563 0.82 ALDH1A1 (0.42) ALDH1A1POLBKDM4EBRD4CREBBP
SCHEMBL24005504 0.81 P2RX7 (0.41) P2RX7ALDH1A1POLBNOTUMKMT2A
SCHEMBL24333460 0.79 P2RX7 (0.64) P2RX7ALDH1A1POLBKDM4EKMT2A
SCHEMBL18913834 0.79 P2RX7 (0.64) P2RX7ALDH1A1POLBKDM4EKMT2A
SCHEMBL24333207 0.79 P2RX7 (0.64) P2RX7ALDH1A1POLBKDM4EKMT2A
SCHEMBL23323114 0.79 KDM4E (0.50) ALDH1A1POLBKDM4EBRD4CREBBP
SCHEMBL24005505 0.74 ALDH1A1 (0.39) ALDH1A1POLBKMT2AMAPTTDO2
SCHEMBL18711628 0.72 SPR (0.44) ALDH1A1POLBKDM4EBRD4CREBBP
SCHEMBL23323068 0.72 CHRNB2 (0.59)
SCHEMBL23323095 0.72 CHRNB2 (0.59)

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
WO-2021223736-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2021-11-11 WO disclosed