SCHEMBL29348797

SCHEMBL29348797

O=c1ccc(C(F)(F)F)cn1-c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
AHR P35869 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL12333052 0.89 GSK3A (0.42) KDM4ETDP1L3MBTL1CA2CA9
SCHEMBL142716 0.84 NPC1 (0.46) KDM4EMGLLHPGDHSD17B10ALDH1A1
SCHEMBL31334475 0.82 CBL (0.45) KDM4EPOLBTDP1L3MBTL1MEN1
SCHEMBL10305669 0.82 ALDH1A1 (0.53) KDM4ERXFP1CA1CA2CA5A
SCHEMBL142926 0.82 KIF11 (0.47) KDM4EPOLBTDP1MGLLHPGD
SCHEMBL6116854 0.82 KIF11 (0.47) KDM4ETDP1L3MBTL1TRPV1HPGD
SCHEMBL141047 0.82 MIF (0.46) KDM4EMGLLHPGDHSD17B10ALDH1A1
SCHEMBL10079418 0.82 KDM4E (0.37) KDM4EPOLBTDP1L3MBTL1KMT2A
SCHEMBL13075264 0.82 ALDH1A1 (0.41) KDM4ETDP1L3MBTL1KMT2ARXFP1
SCHEMBL143208 0.81 ALDH1A1 (0.56) KDM4EPOLBRXFP1TRPV1HPGD

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-2024151547-A1 TARGETED DEGRADATION OF VAV1 MONTE ROSA THERAPEUTICS, INC. (US) 2024-07-18 WO disclosed