SCHEMBL8989802

SCHEMBL8989802

CCNC(=O)C(=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
MAPT P10636 3/20 0.64
ALDH1A1 P00352 2/20 0.64
KDM4E B2RXH2 1/20 0.64
HPGD P15428 1/20 0.64
SLC6A2 P23975 1/20 0.61
FNTA P49354 1/20 0.61
FNTB P49356 1/20 0.61
PKM P14618 2/20 0.58
LMNA P02545 4/20 0.55
CYP1A2 P05177 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
BLM P54132 1/20 0.55
MMP9 P14780 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
HTR2A P28223 1/20 0.51
MTNR1A P48039 1/20 0.51

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
SCHEMBL5635466 0.86 PKM (0.56) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL2402894 0.85 LMNA (0.67) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL7640139 0.79 KMT2A (0.68) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL29362070 0.79 MEN1 (1.00) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL125249 0.79 MEN1 (1.00) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL27763159 0.79 MEN1 (1.00) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL9494228 0.77 MEN1 (0.97) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL9967917 0.77 PKM (0.66) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL30354024 0.77 PKM (0.66) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL9494222 0.77 MAPT (0.73) MEN1KMT2ASMN1; SMN2MAPTALDH1A1

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
US-5569668-A NEMATOPHIN: 3-INDOLEETHYL-3-METHYL-2-OXO-PENTANAMIDE; ANTIBIOTICS WELICHEM TECHNOLOGY CORPORATION (CA) 1996-10-29 US disclosed