SCHEMBL9511534

SCHEMBL9511534

Cc1ccc2ccc3[nH]nnc3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 4/20 0.42
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2A6 P11509 2/20 0.40
CHEK1 O14757 1/20 0.39
MAP2K4 P45985 3/20 0.38
MAPK1 P28482 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
MAPKAPK3 Q16644 1/20 0.38
MAPK6 Q16659 1/20 0.38
MAPKAPK5 Q8IW41 1/20 0.38
ACHE P22303 1/20 0.38
MAOA P21397 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL31502563 0.76 RAB9A (0.50) GAAL3MBTL1CYP2A6KDM4EALDH1A1
SCHEMBL6859042 0.76 RAB9A (0.50) GAAL3MBTL1CYP2A6KDM4EALDH1A1
SCHEMBL3179279 0.75 ALDH1A1 (0.38) ITKGAAL3MBTL1CYP1A2CHEK1
SCHEMBL874076 0.73 ALDH1A1 (0.44) ITKCHEK1MAP2K4MAPK1MAPKAPK2
SCHEMBL31285952 0.71 HPRT1 (0.50) CYP2A6MAPK1KDM4EALDH1A1MAPT
SCHEMBL1547836 0.71 HPRT1 (0.50) CYP2A6MAPK1KDM4EALDH1A1MAPT
SCHEMBL103309 0.71 CYP1A2 (0.39) GAACYP1A2CHEK1MAP2K4MAPK1
SCHEMBL29367601 0.71 CYP1A2 (0.39) GAACYP1A2CHEK1MAP2K4MAPK1
SCHEMBL12808612 0.70 EIF4A3 (0.40) GAAKDM4EALDH1A1MAPT
Ammonia Solution, Strong SCHEMBL1814826 0.69 CYP1A2 (0.38) ITKGAACYP1A2CHEK1MAP2K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0314104-B1 SILVER HALIDE PHOTOGRAPHIC MATERIALS FUJI PHOTO FILM CO., LTD. (JP) 1993-09-15 EP disclosed
US-5093222-A Contrast, negatives FUJI PHOTO FILM CO., LTD. (JP) 1992-03-03 US disclosed
US-4740455-A Heat developable light-sensitive material containing polymethine FUJI PHOTO FILM CO., LTD. (JP) 1988-04-26 US disclosed
US-4725532-A CONTAINING HYDRAZIDE DERIVATIVE, CATIONIC DYE AND ASCORBIC ACID FUJI PHOTO FILM CO., LTD. (JP) 1988-02-16 US disclosed