SCHEMBL25015656

SCHEMBL25015656

CCNC(=O)Cc1c[nH]nn1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 2/20 0.33
RAB9A P51151 2/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MCL1 Q07820 1/20 0.32
ALDH1A1 P00352 2/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL28633894 0.79 KDM6B (0.47) GAAALDH1A1
SCHEMBL25015506 0.78 POLB (0.38) LMNARAB9AGAASMN1; SMN2HPGD
SCHEMBL9196900 0.77 TDP1 (0.33)
SCHEMBL29299999 0.76 KDM4E (0.40) LMNARAB9AHPGDALDH1A1
SCHEMBL9568028 0.75
SCHEMBL5440240 0.74 CA12 (0.51) GAASMN1; SMN2ALDH1A1
SCHEMBL28103048 0.73 SMN1; SMN2 (0.43) SMN1; SMN2
SCHEMBL19022027 0.72 LMNA (0.36) LMNARAB9AGAASMN1; SMN2HPGD
SCHEMBL18592788 0.72 RAB9A (0.40) RXFP1LMNARAB9AGAASMN1; SMN2
SCHEMBL29910189 0.72 ZDHHC20 (0.44) GAATSHRALDH1A1

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-2023011639-A1 OLIGOSACCHARIDE LINKER AND SIDE-CHAIN HYDROPHILIC FRAGMENT COMBINED GLYCOSITE-SPECIFIC ANTIBODY-DRUG CONJUGATE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2023-02-09 WO disclosed