SCHEMBL25640341

SCHEMBL25640341

COc1ccc(C=O)cc1CN1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
ALDH1A1 P00352 7/20 0.55
ALDH1A3 P47895 1/20 0.55
TSHR P16473 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
RECQL P46063 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
FDPS P14324 1/20 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
SCHEMBL17864792 0.99 KDM4E (0.63) KDM4ETDP1L3MBTL1RXFP1ALDH1A1
SCHEMBL17982837 0.89 RXFP1 (0.55) KDM4ETDP1L3MBTL1RXFP1ALDH1A1
SCHEMBL348999 0.89 MAPT (0.64) KDM4EL3MBTL1RXFP1ALDH1A1MEN1
SCHEMBL7359117 0.88 ALDH1A1 (0.58) KDM4ETDP1L3MBTL1ALDH1A1ALDH1A3
SCHEMBL29953174 0.87 CYP1A2 (0.57) KDM4ETDP1L3MBTL1RXFP1ALDH1A1
SCHEMBL24234716 0.86 KDM4E (0.50) KDM4ETDP1L3MBTL1RXFP1ALDH1A1
SCHEMBL15330421 0.85 RXFP1 (0.52) KDM4ETDP1L3MBTL1RXFP1ALDH1A1
SCHEMBL2562461 0.84 MAPT (0.50) KDM4ETDP1L3MBTL1RXFP1ALDH1A1
SCHEMBL15332886 0.82 RXFP1 (0.52) KDM4ETDP1L3MBTL1RXFP1ALDH1A1
SCHEMBL2556584 0.82 NPC1 (0.50) KDM4ETDP1L3MBTL1RXFP1ALDH1A1

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
CN-101606933-A Dihydro porphin photosensitizer and preparation thereof and application UNIV DONGHUA (CN) 2009-12-23 CN claimed
WO-2023104043-A1 ANTI-APOPTOTIC PROTEIN BCL-2 INHIBITOR, PHARMACEUTICAL COMPOSITION AND USES THEREOF 杭州和正医药有限公司 2023-06-15 WO disclosed
CN-101606933-A Dihydro porphin photosensitizer and preparation thereof and application UNIV DONGHUA (CN) 2009-12-23 CN disclosed