SCHEMBL24976104

SCHEMBL24976104

Cc1ccc2cc(C(=N)N3CCS(=O)(=O)CC3)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.41
CYP1A2 P05177 1/20 0.40
SCN9A Q15858 2/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
CASP6 P55212 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PIR O00625 3/20 0.35
HSF1 Q00613 2/20 0.35
BRAF P15056 1/20 0.35
F10 P00742 1/20 0.35
VNN1 O95497 1/20 0.34
SPR P35270 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
SCHEMBL31428637 0.86 HPGD (0.47) KDM2BCYP1A2SCN9AMEN1KMT2A
SCHEMBL24975624 0.76 KDM4E (0.41) KDM2BKDM4ENPC1RAB9AKCNH2
SCHEMBL24976108 0.74 L3MBTL3 (0.40) KDM2BCYP1A2SCN9AKCNH2HRH3
SCHEMBL30163474 0.71 KMT2A (0.56) CYP1A2POLBKDM4ELMNACASP6
SCHEMBL31428645 0.68 HPGD (0.57) KDM4EKMT2AHRH3
SCHEMBL30163530 0.68 SCN9A (0.54) KDM2BSCN9AKCNH2
SCHEMBL31428690 0.68 SCN9A (0.44) SCN9APOLBLMNAMEN1KMT2A
SCHEMBL31428689 0.68 SCN9A (0.44) SCN9APOLBLMNAMEN1KMT2A
SCHEMBL999160 0.68 TDP1 (0.58) KDM2BCYP1A2POLBKDM4ELMNA
SCHEMBL31201668 0.68 NPC1 (0.55) KDM2BCYP1A2POLBKDM4ELMNA

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-2023008577-A1 RAS/RAF BINDING INHIBITOR COMPOUND 国立大学法人神戸大学 2023-02-02 WO disclosed