SCHEMBL9409072

SCHEMBL9409072

CCc1ccccc1Nc1cc(C(N)=O)c(C(N)=O)cc1Nc1ccccc1CC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
ALDH1A1 P00352 2/20 0.55
GAA P10253 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 1/20 0.55
RAB9A P51151 1/20 0.55
CLCN2 P51788 1/20 0.46
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
JAK1 P23458 5/20 0.45
JAK3 P52333 5/20 0.45
JAK2 O60674 4/20 0.45
P2RY2 P41231 1/20 0.44
P2RY4 P51582 1/20 0.44

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
SCHEMBL9409103 0.91 ALDH1A1 (0.50) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL1548694 0.80 ALDH1A1 (0.54) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL9409050 0.79 CSF1R (0.49) MAPTALDH1A1GAAKDM4ERAB9A
SCHEMBL30664049 0.79 JAK1 (0.50) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL29127165 0.79 JAK1 (0.50) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL9409045 0.77 KDM4E (0.53) MAPTALDH1A1GAAKDM4ESIRT2
SCHEMBL9409092 0.77 CDC25B (0.63) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL9409089 0.76 FABP4 (0.61) MAPTKDM4EPTGS2SIRT2
SCHEMBL9409079 0.76 MAPT (0.59) MAPTALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL27516871 0.76 CLCN2 (0.76) MAPTALDH1A1GAASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0600832-A1 Derivatives of diamino benzoic and diamino phthalic acid und their use as protein linase inhibitors CIBA-GEIGY AG (CH) 1994-06-08 EP claimed
EP-0600832-A1 Derivatives of diamino benzoic and diamino phthalic acid und their use as protein linase inhibitors CIBA-GEIGY AG (CH) 1994-06-08 EP disclosed