SCHEMBL9838258

SCHEMBL9838258

Cc1cc2c(N)c([N+](=O)[O-])cnc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
IKBKB O14920 1/20 0.41
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.38
ALDH1A1 P00352 6/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 2/20 0.36
CLK1 P49759 1/20 0.36
CYP3A4 P08684 1/20 0.36
RECQL P46063 1/20 0.36
CDK2 P24941 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 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
SCHEMBL9836921 0.82 MAPT (0.36) MAPTNPC1GAAALDH1A1HPGD
SCHEMBL31271045 0.76 ALDH1A1 (0.47) MAPTRAB9AGAAALDH1A1HPGD
SCHEMBL10771693 0.75 IKBKB (0.45) MAPTIKBKBRAB9ANPC1GAA
SCHEMBL19814919 0.73 GAA (0.38) MAPTRAB9AGAAALDH1A1HPGD
SCHEMBL9040652 0.72 HSD11B1 (0.37) MAPTALDH1A1HPGDLMNAHTT
SCHEMBL9838214 0.72 DYRK1A (0.42) MAPTRAB9ANPC1ALDH1A1HPGD
SCHEMBL31484401 0.72 SMN1; SMN2 (0.35) MAPTRAB9AGAAALDH1A1HPGD
SCHEMBL31484402 0.70 NPC1 (0.34) MAPTNPC1GAAALDH1A1HPGD
SCHEMBL18357928 0.68 CYP3A4 (0.46) MAPTGAAALDH1A1ALOX15TDP1
SCHEMBL9837792 0.67 CDK2 (0.37) MAPTRAB9AGAAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0223420-B1 CONDENSED IMIDAZOPYRIDINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1991-02-27 EP disclosed
US-4753951-A ANTIDEPRESSANTS, ANXIOLYTICS SHIONOGI & CO., LTD. (JP) 1988-06-28 US disclosed
EP-0223420-A1 Condensed imidazopyridine derivatives SHIONOGI & CO., LTD. (JP) 1987-05-27 EP disclosed