SCHEMBL29638552

SCHEMBL29638552

COc1ccccc1-n1[nH]c(=O)c2cnc(Cl)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.38
HCAR1 Q9BXC0 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
NPC1 O15118 3/20 0.38
LMNA P02545 3/20 0.38
MAPK1 P28482 1/20 0.38
CASP3 P42574 1/20 0.38
HTT P42858 1/20 0.38
SENP8 Q96LD8 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.37
GSK3B P49841 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 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
SCHEMBL24557309 0.78 JAK1 (0.46) PLK1
SCHEMBL29638410 0.78 JAK1 (0.46) PLK1
SCHEMBL29638428 0.78 CYP1A2 (0.44) MGLLMAPTGAAKMT2ACYP1A2
SCHEMBL29638378 0.76 TYK2 (0.46) KMT2AGSK3BMEN1
SCHEMBL29638326 0.74 TYK2 (0.46)
SCHEMBL29096505 0.73 PLK1 (0.61) CYP1A2MDM4MDM2PLK1
SCHEMBL30639311 0.73 PLK1 (0.61) CYP1A2MDM4MDM2PLK1
SCHEMBL19493638 0.70 KDM4E (0.37) ALDH1A1MAPTLMNAHTTHSD17B10
SCHEMBL24557265 0.69 JAK1 (0.43)
SCHEMBL29638327 0.68 CCNA2 (0.40) MAPTCYP1A2HPGDCYP2C19

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-2022136914-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2022-06-30 WO disclosed