SCHEMBL30847733

SCHEMBL30847733

O=C(Oc1c(I)cc(C(F)(F)F)cc1C(F)(F)F)N(c1ccc(F)cc1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.44
SLC6A4 P31645 1/20 0.43
POLQ O75417 5/20 0.38
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH3 Q9Y5N1 3/20 0.31
EPHX2 P34913 1/20 0.31
KCNH2 Q12809 2/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL29314388 0.83 POLQ (0.50) POLQMEN1KMT2A
SCHEMBL30847823 0.79 TACR1 (0.43) TACR1SLC6A4POLQMEN1KMT2A
SCHEMBL29314384 0.75 POLQ (0.52) TACR1POLQ
SCHEMBL30847641 0.74 POLQ (0.43) TACR1POLQMEN1KMT2A
SCHEMBL29314831 0.74 POLQ (0.42) TACR1SLC6A4POLQ
SCHEMBL29315012 0.73 POLQ (0.41) TACR1SLC6A4POLQ
SCHEMBL30847644 0.70 POLQ (0.41) POLQMEN1KMT2A
SCHEMBL30847616 0.70 GPBAR1 (0.36) TACR1POLQ
SCHEMBL30847689 0.70 LIPE (0.39) POLQMEN1KMT2AEPHX2
SCHEMBL30847596 0.69 POLQ (0.50) POLQMEN1KMT2A

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