SCHEMBL23485985

SCHEMBL23485985

Nc1ccc2nc3ccc(SCCCO)cc3c(NCCCO)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 4/20 0.49
▸ POLB P06746 3/20 0.49
▸ NQO2 P16083 4/20 0.41
▸ RAB9A P51151 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MITF O75030 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TTR P02766 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ADORA2A P29274 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ SLC2A1 P11166 1/20 0.35
▸ APOBEC3A P31941 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ TERT O14746 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ ATM Q13315 1/20 0.34

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
SCHEMBL23485838 0.83 RAD52 (0.46) RAD52POLBNQO2RAB9AKDM4E
SCHEMBL23458122 0.81 HPGD (0.53) RAD52POLBALDH1A1LMNAKMT2A
SCHEMBL23485990 0.79 RAD52 (0.43) RAD52POLBNQO2RAB9AKDM4E
SCHEMBL29862950 0.74 POLB (0.47) RAD52POLBNQO2RAB9AKDM4E
SCHEMBL23458203 0.74 POLB (0.47) RAD52POLBNQO2RAB9AKDM4E
SCHEMBL23458134 0.74 NQO2 (0.49) RAD52POLBNQO2RAB9AKDM4E
SCHEMBL23486012 0.72 POLB (0.44) RAD52POLBNQO2RAB9AKDM4E
SCHEMBL23485837 0.69 POLB (0.41) RAD52POLBNQO2RAB9AKDM4E
SCHEMBL5096192 0.68 CA2 (0.59) RAB9AKDM4EALDH1A1GAAKMT2A
SCHEMBL3359485 0.67 POLB (1.00) RAD52POLBRAB9AKDM4EALDH1A1

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
WO-2021110280-A1 AMINOACRIDINE AND AMINOPYRENE DYES AND THEIR USE AS FLUORESCENT TAGS, IN PARTICULAR FOR CARBOHYDRATE ANALYSIS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2021-06-10 — — WO disclosed
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