SCHEMBL29071900

SCHEMBL29071900

Cc1c(C(=O)O)c(-c2ccc(F)cc2)c(C)n1Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.70
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
TSHR P16473 1/20 0.56
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
VDR P11473 1/20 0.47
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
NOTUM Q6P988 1/20 0.46

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
SCHEMBL29071902 0.90 AR (0.74) ARSMN1; SMN2LMNATSHRMEN1
SCHEMBL6466009 0.87 AR (0.83) ARSMN1; SMN2LMNATSHRALDH1A1
SCHEMBL6469722 0.82 AR (1.00) ARSMN1; SMN2LMNATSHRKMT2A
SCHEMBL1126637 0.79 AR (0.60) ARSMN1; SMN2LMNATSHRMEN1
SCHEMBL2555350 0.77 VDR (0.78) ARSMN1; SMN2LMNATSHRMEN1
SCHEMBL7046828 0.75 AR (0.61) ARSMN1; SMN2LMNATSHRMEN1
SCHEMBL5805243 0.75 HMGCR (0.52) ALDH1A1
SCHEMBL10778316 0.75 MAPT (0.59) SMN1; SMN2LMNATSHRMEN1KMT2A
SCHEMBL29953446 0.74 VDR (0.79) ARSMN1; SMN2LMNATSHRMEN1
SCHEMBL6468214 0.74 AR (0.78) ARSMN1; SMN2LMNATSHRALDH1A1

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-113943242-B Preparation method of polysubstituted pyrrole compound 浙江工业大学 2023-08-15 CN disclosed