SCHEMBL11375526

SCHEMBL11375526

Cc1cc2c(=O)[nH]c(=O)nc-2n(C[C@H](O)[C@H](O)[C@H](O)CO)c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 8/20 0.60
▸ MEN1 O00255 4/20 0.60
▸ USP2 O75604 4/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ KDM4E B2RXH2 4/20 0.60
▸ HTT P42858 3/20 0.60
▸ CASP1 P29466 2/20 0.60
▸ BRCA1 P38398 2/20 0.60
▸ RECQL P46063 2/20 0.60
▸ CASP7 P55210 2/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ HAT1 O14929 2/20 0.60
▸ RBBP7 Q16576 2/20 0.60
▸ TST Q16762 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ HPGD P15428 2/20 0.60
▸ MAPT P10636 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ HBB P68871 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60

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
SCHEMBL30176235 0.85 MEN1 (0.69) TDP1MEN1USP2KMT2AKDM4E
SCHEMBL11384276 0.82 TDP1 (0.55) TDP1MEN1USP2KMT2AKDM4E
SCHEMBL11389527 0.79 MEN1 (0.52) TDP1MEN1USP2KMT2AKDM4E
SCHEMBL11383191 0.78 KDM4E (0.43) TDP1MEN1USP2KMT2AKDM4E
SCHEMBL15603809 0.78 MEN1 (0.65) TDP1MEN1USP2KMT2AKDM4E
SCHEMBL16812918 0.78 MEN1 (0.65) TDP1MEN1USP2KMT2AKDM4E
SCHEMBL15603799 0.77 MEN1 (0.64) TDP1MEN1USP2KMT2AKDM4E
Riboflavin SCHEMBL9609755 0.75 MEN1 (1.00) TDP1MEN1USP2KMT2AKDM4E
Riboflavin SCHEMBL12979917 0.75 MEN1 (1.00) TDP1MEN1USP2KMT2AKDM4E
Riboflavin SCHEMBL7707 0.75 MEN1 (1.00) TDP1MEN1USP2KMT2AKDM4E

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
US-4252946-A BACTERICIDES, FUNGICIDES, ANTIPROTOZOA AGENTS BURROUGHS WELLCOME CO. (US) 1981-02-24 — — US claimed
US-4252946-A BACTERICIDES, FUNGICIDES, ANTIPROTOZOA AGENTS BURROUGHS WELLCOME CO. (US) 1981-02-24 — — US disclosed
US-4113859-A ANTIBACTERIAL, ANTIPROTOZOAL, ANTIFUNGAL AGENTS BURROUGHS WELLCOME CO. (US) 1978-09-12 — — US disclosed
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