SCHEMBL29549077

SCHEMBL29549077

COC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(-c4ccc(C(=O)Nc5cccc6cccc(S(=O)(=O)NC(C)=O)c56)cc4)cc3)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD40 P25942 3/20 0.78
CD40LG P29965 3/20 0.78
PTPN1 P18031 1/20 0.53
HSD17B10 Q99714 2/20 0.47
PLAU P00749 8/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CRHBP P24387 1/20 0.44
CYP2C19 P33261 1/20 0.44
CRHR2 Q13324 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NOD2 Q9HC29 1/20 0.44

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
SCHEMBL22531352 1.00 CD40 (0.78) CD40CD40LGPTPN1HSD17B10PLAU
SCHEMBL24516452 0.89 CD40 (0.62) CD40CD40LGPTPN1HSD17B10PLAU
SCHEMBL19020632 0.88 CD40 (1.00) CD40CD40LGPTPN1HSD17B10PLAU
SCHEMBL22545501 0.83 CD40 (0.65) CD40CD40LGPTPN1HSD17B10PLAU
SCHEMBL19020634 0.75 CD40 (0.77) CD40CD40LGPTPN1MEN1KMT2A
SCHEMBL22545564 0.71 PTPN1 (0.61) CD40CD40LGPTPN1MEN1KMT2A
SCHEMBL20590980 0.71 CD40 (1.00) CD40CD40LGMEN1KMT2ALMNA
SCHEMBL22223650 0.71 PTPN1 (0.94) PTPN1PLAUMEN1KMT2AHTT
SCHEMBL2835618 0.71 PTPN1 (0.94) PTPN1PLAUMEN1KMT2AHTT
SCHEMBL29611669 0.71 PTPN1 (0.94) PTPN1PLAUMEN1KMT2AHTT

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
EP-3952853-A1 INHIBITORS OF CD40-CD154 BINDING Tonix Pharmaceuticals Holding Corp. (US) 2022-02-16 EP disclosed