SCHEMBL38650907

SCHEMBL38650907

COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)OC(C)(C)C)CC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 4/20 0.53
MAPT P10636 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 2/20 0.50
SIGMAR1 Q99720 1/20 0.49
MAPK1 P28482 1/20 0.49
DPP8 Q6V1X1 2/20 0.48
DPP4 P27487 1/20 0.48
ABCB1 P08183 1/20 0.48
ABCC1 P33527 1/20 0.48
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL5457335 0.79 DRD2 (0.51) SIGMAR1DRD2
SCHEMBL7333685 0.78 KMT2A (0.65) ALDH1A1KMT2AMAPTNPSR1HPGD
SCHEMBL23764831 0.77 NR1H2 (0.65) ALDH1A1KMT2ANPSR1HPGDHTT
SCHEMBL3560091 0.77 SIGMAR1 (0.56) ALDH1A1KMT2AMAPTNPSR1HPGD
SCHEMBL13059438 0.77 KMT2A (0.68) ALDH1A1KMT2AMAPTNPSR1HPGD
SCHEMBL26928833 0.77 ESR2 (0.65) ALDH1A1KMT2AMAPTNPSR1NPC1
SCHEMBL13799649 0.77 SIGMAR1 (0.65) ALDH1A1KMT2ARAB9AMEN1SIGMAR1
SCHEMBL6985977 0.76 KMT2A (0.63) ALDH1A1KMT2AMAPTNPSR1NPC1
SCHEMBL28263863 0.76 KMT2A (0.63) ALDH1A1KMT2AMAPTNPSR1HPGD
SCHEMBL5455289 0.76 DRD2 (0.52) SIGMAR1DRD2

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
CN-122010913-A Rhodamine-marked isoquinoline derivative and preparation method and application thereof 淮阴师范学院 2026-05-12 CN claimed
CN-122010913-A Rhodamine-marked isoquinoline derivative and preparation method and application thereof 淮阴师范学院 2026-05-12 CN disclosed