SCHEMBL9694680

SCHEMBL9694680

CN(C)c1ccc(N)cc1.CNc1ccc(N)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.70
MAPK1 P28482 4/20 0.70
TDP1 Q9NUW8 4/20 0.70
CYP3A4 P08684 3/20 0.70
ALOX15 P16050 2/20 0.70
TP53 P04637 2/20 0.70
TSHR P16473 5/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
KMT2A Q03164 1/20 0.47
KDM1A O60341 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
GFER P55789 2/20 0.40
PSMD14 O00487 1/20 0.40
RECQL P46063 1/20 0.40
EGFR P00533 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
Hydrochloric Acid SCHEMBL9694676 0.98 ALDH1A1 (0.67) ALDH1A1MAPK1TDP1CYP3A4ALOX15
SCHEMBL22416572 0.89 ALDH1A1 (0.55) ALDH1A1MAPK1TDP1CYP3A4ALOX15
SCHEMBL146321 0.89 ALDH1A1 (0.61) ALDH1A1MAPK1TDP1CYP3A4ALOX15
SCHEMBL7008879 0.87 ALDH1A1 (0.50) ALDH1A1MAPK1TDP1CYP3A4ALOX15
Hydrochloric Acid SCHEMBL10664947 0.86 ALDH1A1 (0.58) ALDH1A1MAPK1TDP1CYP3A4ALOX15
Hydrochloric Acid SCHEMBL9693558 0.86 ALDH1A1 (0.58) ALDH1A1MAPK1TDP1CYP3A4ALOX15
SCHEMBL19648847 0.84 ALDH1A1 (0.73) ALDH1A1MAPK1TDP1CYP3A4ALOX15
SCHEMBL80012 0.84 ALDH1A1 (0.73) ALDH1A1MAPK1TDP1CYP3A4ALOX15
SCHEMBL525926 0.83
SCHEMBL15246 0.83 ALDH1A1 (1.00) ALDH1A1MAPK1TDP1CYP3A4ALOX15

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
US-5139930-A Silver halide photographic light-sensitive material KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1992-08-18 US disclosed
EP-0159913-B1 SILVER HALIDE PHOTOGRAPHIC LIGHT SENSITIVE MATERIAL KONICA CORPORATION (JP) 1988-09-14 EP disclosed
EP-0159913-A1 Silver halide photographic light sensitive material KONICA CORPORATION (JP) 1985-10-30 EP disclosed