SCHEMBL20757449

SCHEMBL20757449

CCCc1cc(F)cc(-c2cncnc2)c1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
CTSD P07339 2/20 0.32
BACE1 P56817 2/20 0.32
BACE2 Q9Y5Z0 2/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL20757658 0.84 CYP11B1 (0.40) AKR1C3AKR1C2
SCHEMBL20757284 0.79 METAP2 (0.36) DPP4HRH4NPC1RAB9ASMN1; SMN2
SCHEMBL20681193 0.77 HMGCR (0.41) HRH4NPC1RAB9ASMN1; SMN2TP53
SCHEMBL20743006 0.73 JAK2 (0.40) AKR1C3AKR1C2CTSDBACE1BACE2
SCHEMBL20757618 0.73 ACVR2A (0.40) HRH4
SCHEMBL20757656 0.72 MYC (0.38) ALOX5APFEN1HRH4SMN1; SMN2TP53
SCHEMBL20757158 0.71 ADRA2C (0.48)
SCHEMBL20757447 0.70 ADORA2B (0.32)
SCHEMBL10742848 0.69 ALOX5AP (0.36) AKR1C3AKR1C2CTSDBACE1BACE2
SCHEMBL9326441 0.65 ALDH1A1 (0.38) BACE1NPC1RAB9ASMN1; SMN2TP53

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
WO-2019034692-A1 SULFONYLUREAS AND SULFONYLTHIOUREAS AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2019-02-21 WO disclosed
WO-2019034690-A1 SULFONYLUREAS AND SULFONYLTHIOUREAS AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2019-02-21 WO disclosed