SCHEMBL30877017

SCHEMBL30877017

COc1cccc(COC(=O)n2ccc3ccccc32)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
MMP1 P03956 2/20 0.46
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46

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
SCHEMBL27312108 1.00 KMT2A (0.50) KMT2AKDM4EALDH1A1MAPTMAOA
SCHEMBL7163776 0.86 P2RX4 (0.52) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7171723 0.84 TUBB1 (0.50) KMT2AKDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL7162130 0.83 L3MBTL1 (0.53) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL29097183 0.81 NOTUM (0.40) KMT2AKDM4EALDH1A1NPC1RAB9A
SCHEMBL29097181 0.81 NOTUM (0.40) KMT2AKDM4EALDH1A1NPC1RAB9A
SCHEMBL7167672 0.78 P2RX4 (0.50) KMT2AKDM4EALDH1A1MAPTMAOB
SCHEMBL31435515 0.76 RAB9A (0.63) KMT2AALDH1A1NPC1RAB9ATP53
SCHEMBL7168990 0.76 P2RX4 (0.50) KMT2AKDM4EALDH1A1MAPTRAB9A
SCHEMBL600415 0.75 NOTUM (0.61) KMT2AALDH1A1MAPTRAB9ATP53

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
EP-4608817-A1 COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-09-03 EP disclosed
WO-2024091450-A1 COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-05-02 WO disclosed