SCHEMBL9040258

SCHEMBL9040258

CSc1nc2ccccc2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.50
PPARG P37231 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
HTT P42858 2/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 3/20 0.48
POLB P06746 1/20 0.48
AGTR1 P30556 1/20 0.48
AGTR2 P50052 1/20 0.48
KMT2A Q03164 1/20 0.47
MMP7 P09237 1/20 0.46
MMP8 P22894 1/20 0.46
MMP12 P39900 1/20 0.46
RECQL P46063 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
SCHEMBL9040448 0.90 SMN1; SMN2 (0.56) SMN1; SMN2NPSR1LMNAALDH1A1PPARG
SCHEMBL9040948 0.88 L3MBTL1 (0.55) SMN1; SMN2NPSR1LMNAALDH1A1PPARG
SCHEMBL9040518 0.88 MMP7 (0.53) SMN1; SMN2NPSR1LMNAALDH1A1PPARG
SCHEMBL9044249 0.87 PTGDR2 (0.59) SMN1; SMN2NPSR1LMNAALDH1A1PPARG
SCHEMBL9040689 0.86 TNF (0.59) PPARGAGTR1AGTR2
SCHEMBL9041947 0.86 PPARG (0.51) SMN1; SMN2LMNAALDH1A1PPARGL3MBTL1
SCHEMBL9045081 0.86 PPARG (0.55) PPARGAGTR1AGTR2
SCHEMBL9040403 0.85 PPARG (0.50) SMN1; SMN2LMNAALDH1A1PPARGL3MBTL1
SCHEMBL9042383 0.84 PPARG (0.60) LMNAPPARGL3MBTL1HTTTSHR
SCHEMBL9040956 0.84 ALDH1A1 (0.61) SMN1; SMN2NPSR1LMNAALDH1A1PPARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP disclosed
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 EP disclosed