SCHEMBL30847650

SCHEMBL30847650

O=C1NCCN1c1cc(C(F)(F)F)cc(C(F)(F)F)c1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A4 P31645 3/20 0.36
AR P10275 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
PTPN1 P18031 2/20 0.36
PTPN2 P17706 1/20 0.36
PTPN6 P29350 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
GRM5 P41594 1/20 0.36
GRM3 Q14832 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
TACR1 P25103 5/20 0.35
RPS6KB1 P23443 1/20 0.35

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
SCHEMBL30847795 0.79 CYP1A2 (0.41) MEN1ALDH1A1KMT2ASLC6A4HTR2C
SCHEMBL30847726 0.79 DRD2 (0.38) MEN1ALDH1A1KMT2AARPTPN1
SCHEMBL30847704 0.76 AR (0.36) MEN1ALDH1A1KMT2ASLC6A4AR
SCHEMBL30847744 0.76 AR (0.36) MEN1ALDH1A1KMT2ASLC6A4AR
SCHEMBL29317047 0.76 HTT (0.44) MEN1ALDH1A1KMT2ASLC6A4AR
SCHEMBL30847657 0.76 SCN5A (0.43) PTPN1PTPN2PTPN6RXRARXRB
SCHEMBL30847685 0.73 MEN1 (0.35) MEN1ALDH1A1KMT2AARGRM5
SCHEMBL30847592 0.72 CMA1 (0.34) MEN1KMT2AMGAT2
SCHEMBL30847754 0.71 CACNA1H (0.36) RXRARXRBRXRGMGAT2
SCHEMBL15898915 0.71 RXRA (0.42) MEN1ALDH1A1KMT2ASLC6A4AR

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-4598901-A1 PYRROLIDINE AND IMIDAZOLIDINE BASED DNA POLYMERASE THETA INHIBITORS AND USE THEREOF Thomas Jefferson University (US) 2025-08-13 EP disclosed
WO-2024076964-A1 PYRROLIDINE AND IMIDAZOLIDINE BASED DNA POLYMERASE THETA INHIBITORS AND USE THEREOF THOMAS JEFFERSON UNIVERSITY (US) 2024-04-11 WO disclosed