SCHEMBL9127293

SCHEMBL9127293

N=C(N)n1nc(-c2ccccc2)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 12/20 0.49
ALDH1A1 P00352 8/20 0.45
RAB9A P51151 8/20 0.45
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
TSHR P16473 1/20 0.45
GFER P55789 1/20 0.45
MAPT P10636 6/20 0.44
LMNA P02545 2/20 0.44
STAT3 P40763 2/20 0.44
NPC1 O15118 7/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 3/20 0.43
HPGD P15428 2/20 0.43
NFKB1 P19838 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
HTT P42858 2/20 0.43
STAT1 P42224 1/20 0.43
LDHA P00338 1/20 0.42

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
Hydrochloric Acid SCHEMBL9122448 0.98 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL9124745 0.85 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1RAB9AMEN1KMT2A
SCHEMBL9423275 0.83 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1RAB9AMEN1KMT2A
SCHEMBL9121292 0.83 MAPT (0.44) SMN1; SMN2ALDH1A1RAB9AMAPTLMNA
Hydrochloric Acid SCHEMBL9121751 0.82 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL9124785 0.82 MEN1 (0.50) SMN1; SMN2ALDH1A1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL9121359 0.82 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL9122359 0.82 MAPT (0.43) SMN1; SMN2RAB9AMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL9123482 0.82 RAB9A (0.55) SMN1; SMN2ALDH1A1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL9124771 0.79 NPC1 (0.49) SMN1; SMN2ALDH1A1RAB9AMEN1KMT2A

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
US-5453514-A Diabetes YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1995-09-26 US disclosed