SCHEMBL6163578

SCHEMBL6163578

Clc1cc[c]c2cccnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.41
HSP90AA1 P07900 5/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
CCR1 P32246 3/20 0.41
CCR8 P51685 3/20 0.41
TP53 P04637 3/20 0.41
CYP3A4 P08684 3/20 0.41
ALOX15 P16050 3/20 0.41
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
MMP9 P14780 2/20 0.41
MMP13 P45452 2/20 0.41
MMP2 P08253 2/20 0.41
TSHR P16473 2/20 0.41
HIF1A Q16665 2/20 0.41
CCR5 P51681 2/20 0.41
GMNN O75496 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL3896844 0.84 NR4A2 (0.43) LMNAHSP90AA1KDM4EMAPTCCR1
SCHEMBL144184 0.76 METAP2 (0.48) LMNAHSP90AA1KDM4EMAPTCCR1
SCHEMBL6312154 0.76 KDM4E (0.38) LMNAHSP90AA1KDM4EMAPTCCR1
SCHEMBL8391499 0.76 MAPT (0.42) LMNAHSP90AA1KDM4EMAPTCCR1
SCHEMBL789544 0.76 PSMD14 (0.43) LMNAHSP90AA1KDM4EMAPTCCR1
SCHEMBL20264913 0.76 KDM4E (0.39) LMNAHSP90AA1KDM4EMAPTCCR1
SCHEMBL2409957 0.72 CCR1 (0.37) LMNAHSP90AA1KDM4EMAPTCCR1
SCHEMBL22121642 0.72 LRRK2 (0.38) LMNAHSP90AA1KDM4EMAPTCCR1
SCHEMBL1098748 0.72 PDE10A (0.41) LMNAHSP90AA1KDM4ESMN1; SMN2TSHR
SCHEMBL20265329 0.72 LMNA (0.33) LMNAHSP90AA1KDM4EMAPTCCR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024068976-A1 AZOLE DERIVATIVES AS SHP2 INHIBITORS IRBM S.P.A. (IT) 2024-04-04 WO claimed
EP-4345101-A1 AZOLE DERIVATIVES AS SHP2 INHIBITORS IRBM S.P.A. (IT) 2024-04-03 EP claimed
EP-1224165-B1 NOVEL COMPOUNDS NEW PHARMA RES SWEDEN AB (SE) 2005-12-14 EP claimed
US-6875764-B1 Urea and thiourea compounds useful for treatment of coccidiosis NEW PHARMA RESEARCH SWEDEN AB (SE) 2005-04-05 US claimed
WO-2001030749-B1 NOVEL COMPOUNDS NEW PHARMA RES SWEDEN AB (SE) 2001-06-07 WO claimed
WO-2024068976-A1 AZOLE DERIVATIVES AS SHP2 INHIBITORS IRBM S.P.A. (IT) 2024-04-04 WO disclosed
EP-4345101-A1 AZOLE DERIVATIVES AS SHP2 INHIBITORS IRBM S.P.A. (IT) 2024-04-03 EP disclosed
EP-1224165-B1 NOVEL COMPOUNDS NEW PHARMA RES SWEDEN AB (SE) 2005-12-14 EP disclosed