SCHEMBL30005781

SCHEMBL30005781

Cn1c(CCCc2ccccc2)cc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
KDM1A O60341 1/20 0.45
MCL1 Q07820 1/20 0.44

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
SCHEMBL30006668 0.84 MEN1 (0.42) KMT2A
SCHEMBL4672103 0.83 OXER1 (0.52) KMT2A
SCHEMBL6942314 0.81 DAO (0.45) KMT2AKDM1AMCL1
SCHEMBL28223276 0.81 OXER1 (0.53)
SCHEMBL19524635 0.81 ALOX15 (0.45)
SCHEMBL3696937 0.80 OXER1 (0.54)
SCHEMBL18112910 0.79 OXER1 (0.49) KMT2A
SCHEMBL7072559 0.79 KMT2A (0.47) KMT2AKDM1AMCL1
SCHEMBL28614887 0.79 KMT2A (0.45) KMT2AKDM1A
SCHEMBL30005643 0.79 AGTR1 (0.53)

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
CN-111559974-B Seven-membered ring fused cyclopenta [ b ] indole derivative and synthesis method and application thereof 华东师范大学 2022-10-25 CN disclosed