SCHEMBL9229974

SCHEMBL9229974

Cc1ncc([N+](=O)[O-])n1C(C)Sc1nc2ccccc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.41
▸ MAPT P10636 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ HTT P42858 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ HPGD P15428 4/20 0.40
▸ CYP1A2 P05177 3/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ FBP1 P09467 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
SCHEMBL9229976 0.76 TYMS (0.52) LMNAKMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL9233968 0.76 POLB (0.49) LMNAMAPTKMT2AHTTTP53
SCHEMBL9232599 0.76 LMNA (0.42) LMNAMAPTKMT2AHTTSMN1; SMN2
SCHEMBL9780860 0.71 MAPK1 (0.50) LMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL9229979 0.70 CYP1A2 (0.45) LMNAMAPTKMT2AHTTTP53
SCHEMBL13433889 0.68 MAPK1 (0.55) LMNASMN1; SMN2ALDH1A1CYP1A2MAPK1
SCHEMBL10927242 0.68 ALDH1A1 (0.63) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL811043 0.66 MAPK1 (0.60) LMNAKMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL22292430 0.66 ALDH1A1 (0.59) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL7628317 0.66 ALDH1A1 (0.59) LMNAMAPTSMN1; SMN2ALDH1A1HPGD

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
EP-0632040-A1 Antibacterial imidazole derivatives Takeda Chemical Industries, Ltd. (JP) 1995-01-04 — — EP disclosed
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