SCHEMBL24312413

SCHEMBL24312413

c1ccc(CNc2nnnc3ccccc23)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C19 P33261 1/20 0.68
RAD52 P43351 2/20 0.63
KMT2A Q03164 4/20 0.61
LMNA P02545 2/20 0.61
GALR3 O60755 2/20 0.61
NR2F2 P24468 2/20 0.61
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
MAPT P10636 1/20 0.61
PKM P14618 1/20 0.61
UBE2N P61088 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
RCE1 Q9Y256 1/20 0.61
EGFR P00533 1/20 0.61
RAB9A P51151 1/20 0.61
APP P05067 5/20 0.59
PDE5A O76074 4/20 0.59
TSHR P16473 1/20 0.59

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
SCHEMBL3758745 0.84 EGFR (0.67) CYP1A2CYP2D6CYP2C19LMNANR2F2
SCHEMBL24312409 0.81 CYP1A2 (1.00) CYP1A2CYP2D6CYP2C19KMT2ALMNA
SCHEMBL4074924 0.77 APP (0.67) CYP1A2KMT2ARAB9AAPPMEN1
SCHEMBL12175837 0.77 RAD52 (1.00) RAD52KMT2ALMNAKDM4EALDH1A1
SCHEMBL7612718 0.76 EGFR (1.00) RAD52KMT2ALMNAGALR3NR2F2
SCHEMBL29386010 0.76 EGFR (1.00) RAD52KMT2ALMNAGALR3NR2F2
Hydrochloric Acid SCHEMBL8178476 0.75 LMNA (1.00) RAD52KMT2ALMNAGALR3NR2F2
SCHEMBL3977315 0.75 RAD52 (0.71) RAD52KMT2ALMNAGALR3NR2F2
SCHEMBL4754065 0.75 APP (0.62) RAD52KMT2ALMNAGALR3NR2F2
SCHEMBL3113122 0.75 APP (1.00) RAD52KMT2ALMNAGALR3NR2F2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11732286-B2 T5 exonuclease-based method to identify DNA topoisomerase inhibitors THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2023-08-22 US disclosed
US-11732286-B2 T5 exonuclease-based method to identify DNA topoisomerase inhibitors THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2023-08-22 US disclosed
US-20220170070-A1 T5 EXONUCLEASE-BASED METHOD TO IDENTIFY DNA TOPOISOMERASE INHIBITORS THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2022-06-02 US disclosed
US-20220119858-A1 T5 EXONUCLEASE-BASED METHOD TO IDENTIFY DNA TOPOISOMERASE INHIBITORS THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2022-04-21 US disclosed
US-11268129-B1 T5 exonuclease-based method to identify DNA topoisomerase inhibitors THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2022-03-08 US disclosed