SCHEMBL21609017

SCHEMBL21609017

CCCCc1ccc(F)c(C#N)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 5/20 0.39
CTRC Q99895 1/20 0.38
TYR P14679 2/20 0.38
P2RX7 Q99572 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 4/20 0.34
HTT P42858 3/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BCAT1 P54687 1/20 0.34
KDM4E B2RXH2 3/20 0.33
CYP3A4 P08684 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL18810349 0.76 PDCD1LG2 (0.43) P2RX7ALDH1A1HPGDMAPTKMT2A
SCHEMBL18809830 0.76 P2RX7 (0.38) P2RX7ALDH1A1HPGDMAPTKMT2A
SCHEMBL20283719 0.73 BCAT2 (0.34) BCAT2L3MBTL1ALDH1A1HPGDHTT
SCHEMBL4592838 0.72 ALDH1A1 (0.42) P2RX7L3MBTL1ALDH1A1HPGDMAPT
SCHEMBL2729271 0.72 P2RX7 (0.36) P2RX7PDCD1LG2CD274
SCHEMBL2728264 0.72 P2RX7 (0.38) P2RX7KDM4EPDCD1LG2CD274
SCHEMBL14660917 0.71 P2RX7 (0.47) P2RX7MAPT
SCHEMBL21399634 0.70 TAAR1 (0.41) CTRCTYRKMT2ASMN1; SMN2CYP3A4
SCHEMBL29924487 0.70 TYR (0.47) BCAT2CTRCTYRALDH1A1HTT
SCHEMBL27740369 0.70 NPC1 (0.40) CTRCP2RX7L3MBTL1ALDH1A1HPGD

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-3810602-B1 COMPOUNDS CTXT PTY LTD (AU) 2023-11-01 EP disclosed
WO-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 WO disclosed