SCHEMBL30847664

SCHEMBL30847664

Oc1c(N2CCCC2)cc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
NOTUM Q6P988 5/20 0.38
KDR P35968 1/20 0.36
SRPK2 P78362 1/20 0.36
SRPK1 Q96SB4 1/20 0.36
SRPK3 Q9UPE1 1/20 0.36
KCNQ2 O43526 1/20 0.35
CYP2D6 P10635 1/20 0.35
MGLL Q99685 1/20 0.35
ABHD6 Q9BV23 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADRB1 P08588 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
SCHEMBL30847652 0.80 ADRB1 (0.47) MAPTTHRBL3MBTL1ADRB1ALDH1A1
SCHEMBL18593377 0.76 ALDH1A1 (0.45) MAPTHPGDKDM4ELMNAGAA
SCHEMBL18593375 0.75 ALDH1A1 (0.47) MAPTHPGDKDM4ELMNAGAA
SCHEMBL391593 0.74 CES2 (0.45) NOTUMALDH1A1
SCHEMBL30847592 0.72 CMA1 (0.34) MAPTMEN1KMT2AADRB1TSHR
SCHEMBL10104536 0.71 MAPT (0.40) MAPTKDM4ELMNAKDRSRPK2
SCHEMBL10104521 0.70 MAPT (0.40) MAPTHPGDLMNAKDRSRPK2
SCHEMBL3849954 0.69 NOTUM (0.54) NOTUM
SCHEMBL29118478 0.69 ALDH1A1 (0.40) MAPTKDM4ELMNANOTUMMEN1
SCHEMBL5517347 0.69 CES2 (0.41) KDM4EMEN1KMT2AALDH1A1

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