SCHEMBL21835014

SCHEMBL21835014

CCC(O[C]=O)c1ccc(N=Nc2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.38
RAB9A P51151 8/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ALDH1A1 P00352 6/20 0.38
CHRNA7 P36544 1/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36
CHRNA9 Q9UGM1 1/20 0.36
MEN1 O00255 8/20 0.36
KMT2A Q03164 8/20 0.36
NPC1 O15118 6/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
TDP1 Q9NUW8 4/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL27372 0.85 LMNA (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4670361 0.76 ALDH1A1 (0.37) MAPTALDH1A1CHRNA7MEN1KMT2A
SCHEMBL2637286 0.76 MAPT (0.43) MAPTRAB9AL3MBTL1CASP3SENP8
SCHEMBL9572783 0.73 AOC3 (0.47) MEN1KMT2ATSHRCYP2D6PPARA
SCHEMBL10590307 0.73 MAPT (0.40) MAPTRAB9AL3MBTL1CASP3SENP8
SCHEMBL1432767 0.71 AOC3 (0.39) MEN1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL5515058 0.71 CYP17A1 (0.39) MAPTRAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL25447793 0.71 CYP2C9 (0.50) MAPTRAB9AL3MBTL1ALDH1A1CHRNA7
SCHEMBL6704873 0.70 ALDH1A1 (0.42) MAPTL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL6003373 0.69 POLB (0.42) RAB9AALDH1A1NPC1SMN1; SMN2LMNA

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-3846824-A2 COMPOSITIONS AND METHODS FOR IMMUNE CHECKPOINT INHIBITION The General Hospital Corporation (US) 2021-07-14 EP disclosed
WO-2020068398-A2 COMPOSITIONS AND METHODS FOR IMMUNE CHECKPOINT INHIBITION THE GENERAL HOSPITAL CORPORATION (US) 2020-04-02 WO disclosed