SCHEMBL31592865

SCHEMBL31592865

FC(F)(F)c1cccc(-c2ccc(Nc3cccc(-c4nc5ccccc5[nH]4)c3)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.58
▸ DGAT1 O75907 2/20 0.55
▸ KCNH2 Q12809 2/20 0.55
▸ NPBWR1 P48145 2/20 0.51
▸ KDM4E B2RXH2 6/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ KIT P10721 1/20 0.51
▸ MAPT P10636 3/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ POLB P06746 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ KDR P35968 1/20 0.49
▸ MMP2 P08253 2/20 0.49
▸ MMP9 P14780 2/20 0.49

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
SCHEMBL30726447 0.87 MMP2 (0.62) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL30011485 0.86 NPBWR1 (0.67) PDPK1DGAT1KCNH2NPBWR1KDM4E
SCHEMBL21705326 0.86 NPBWR1 (0.67) PDPK1DGAT1KCNH2NPBWR1KDM4E
SCHEMBL31592975 0.84 MMP2 (0.64) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL31592943 0.83 KDM4E (0.50) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL31592927 0.83 KDM4E (0.46) PDPK1DGAT1KCNH2NPBWR1KDM4E
SCHEMBL31592970 0.82 KDM4E (0.61) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL31592902 0.81 DGAT1 (0.63) DGAT1KCNH2NPBWR1KDM4EALDH1A1
SCHEMBL31593024 0.81 MMP2 (0.48) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL31592903 0.81 KDM4E (0.54) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A

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-4559908-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF S2CBio Inc. (KR) 2025-05-28 — — EP claimed
EP-4559908-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF S2CBio Inc. (KR) 2025-05-28 — — EP disclosed
Send feedback