SCHEMBL24724317

SCHEMBL24724317

C=C(OCC)c1cnc(C(F)(F)F)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
POLB P06746 2/20 0.35
GAA P10253 1/20 0.33
RAF1 P04049 1/20 0.33
HCRTR1 O43613 4/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
NPC1 O15118 1/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 3/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.31
MAPK1 P28482 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
SCHEMBL30003361 1.00 KDM4E (0.35) KDM4EPOLBGAARAF1HCRTR1
SCHEMBL29947388 0.76 KDM4E (0.37) KDM4EPOLBGAAHPGDMAPT
SCHEMBL26981246 0.76 KDM4E (0.37) KDM4EPOLBGAAHPGDMAPT
SCHEMBL12068861 0.75 POLB (0.32) POLBL3MBTL1
SCHEMBL10253926 0.75 POLB (0.32) POLBL3MBTL1
SCHEMBL3302582 0.75 DGAT1 (0.44) KDM4EPOLBNPC1HPGDMAPT
SCHEMBL18281305 0.74 MAPK1 (0.36) KDM4EPOLBGAAHPGDMAPT
SCHEMBL22481338 0.73 P2RX7 (0.49) POLBHPGDMAPTKMT2AALDH1A1
SCHEMBL14906735 0.73 NPC1 (0.47) KDM4EPOLBNPC1TSHRHPGD
SCHEMBL14683911 0.71 CNR1 (0.40) KDM4EPOLBNPC1TSHRHPGD

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-2022253259-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2022-12-08 WO disclosed