SCHEMBL26229441

SCHEMBL26229441

CCC(CC)C(=O)Nc1ncnn2c(C(C)C)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ADORA1 P30542 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TSHR P16473 3/20 0.36
▸ ADORA2A P29274 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CYP2C9 P11712 2/20 0.34
▸ FPR1 P21462 1/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL26229443 0.87 TSHR (0.44) MEN1KMT2AADORA1SMN1; SMN2TSHR
SCHEMBL26229442 0.83 PKM (0.36) MEN1KMT2ATSHRCYP2C9CYP1A2
SCHEMBL26545444 0.82 TSHR (0.44) MEN1KMT2AADORA1TSHRHTT
SCHEMBL26545442 0.80 HTT (0.42) SMN1; SMN2TSHRHTTHPGDALDH1A1
SCHEMBL26545440 0.79 DEGS1 (0.42) SMN1; SMN2HTTALDH1A1
SCHEMBL26209321 0.78 KDM4E (0.38) MEN1KMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL12392894 0.75 MAP4K4 (0.46) HTTGAAHPGDALDH1A1
SCHEMBL26545741 0.74 EGLN2 (0.34) TSHR
SCHEMBL26545438 0.73 EGLN2 (0.34) TSHR
SCHEMBL12392887 0.66 RET (0.41) ADORA1ADORA2A

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-2023168194-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. (US) 2023-09-07 — — WO disclosed
Send feedback