SCHEMBL22154181

SCHEMBL22154181

COC(=O)Cn1nncc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.43
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 3/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 2/20 0.38
CNR2 P34972 1/20 0.37
MAPK1 P28482 1/20 0.37
TRPV1 Q8NER1 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
SCHEMBL22154190 0.80 ALDH1A1 (0.44) PTGS2GAASMN1; SMN2KDM4EALDH1A1
SCHEMBL27667439 0.79 PTGS2 (0.48) PTGS2CYP1A2GAACYP2C19SMN1; SMN2
SCHEMBL20037188 0.71 LMNA (0.66) CYP1A2GAASMN1; SMN2RAB9AKDM4E
SCHEMBL12126327 0.71
SCHEMBL8947126 0.70 P2RX7 (0.47) CYP1A2GAACYP2C19SMN1; SMN2NPC1
SCHEMBL13631407 0.69 MAPK1 (0.72) CYP1A2GAACYP2C19SMN1; SMN2NPC1
SCHEMBL20517131 0.69 LMNA (0.45) CYP1A2GAACYP2C19SMN1; SMN2NPC1
SCHEMBL22154192 0.68 MPO (0.37) PTGS2CYP1A2CYP2C19SMN1; SMN2RAB9A
SCHEMBL24666711 0.68 PTGS2 (0.57) PTGS2GAACYP2C19SMN1; SMN2KDM4E
SCHEMBL8947317 0.68 ALDH1A1 (0.57) CYP1A2GAACYP2C19SMN1; SMN2KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023129518-A1 TUBULYSINS AND PROTEIN-TUBULYSIN CONJUGATES REGENERON PHARMACEUTICALS, INC. (US) 2023-07-06 WO disclosed
WO-2021262910-A2 TUBULYSINS AND PROTEIN-TUBULYSIN CONJUGATES REGENERON PHARMACEUTICALS, INC. (US) 2021-12-30 WO disclosed
WO-2020132658-A2 TUBULYSINS AND PROTEIN-TUBULYSIN CONJUGATES REGENERON PHARMACEUTICALS, INC. (US) 2020-06-25 WO disclosed