SCHEMBL31177216

SCHEMBL31177216

NC(=O)Cn1ccc2ccc(F)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.55
HTR2A P28223 2/20 0.55
PPARG P37231 2/20 0.46
PPARD Q03181 2/20 0.46
PPARA Q07869 2/20 0.46
NPY5R Q15761 1/20 0.44
HTR7 P34969 1/20 0.44
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.42
KMO O15229 1/20 0.40
AR P10275 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
APOBEC3A P31941 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL2014724 0.87 HTR2C (0.55) HTR2CHTR2APPARGNPY5RLMNA
SCHEMBL16156155 0.85 KMT2A (0.60) HTR2CHTR2APPARGPPARDPPARA
SCHEMBL31177217 0.84 LMNA (0.63) HTR2CHTR2APPARGPPARDPPARA
SCHEMBL3353214 0.82 LMNA (0.44) HTR2CHTR2APPARGPPARDPPARA
SCHEMBL2006476 0.81 KMO (0.61) HTR2CHTR2APPARGNPY5RHTR7
SCHEMBL29958565 0.81 KMO (0.61) HTR2CHTR2APPARGNPY5RHTR7
SCHEMBL24414633 0.79 LMNA (0.42) PPARGPPARDPPARALMNAKMT2A
SCHEMBL30991849 0.79 LMNA (0.42) PPARGPPARDPPARALMNAKMT2A
SCHEMBL29930457 0.78 GRIN2B (0.60) GRIN2B
SCHEMBL6099343 0.77 MTNR1A (0.60) HTR2CHTR2APPARGPPARDPPARA

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
CN-115869406-B Application of PD-1 antibody combined UFSP < 2 > covalent inhibitor in preparation of medicines for treating tumors 杭州师范大学 2024-10-15 CN disclosed