SCHEMBL9409103

SCHEMBL9409103

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 4/20 0.48
MAPT P10636 3/20 0.48
GAA P10253 2/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43
GLA P06280 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 2/20 0.41
CFTR P13569 1/20 0.41
CLCN2 P51788 1/20 0.40

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
SCHEMBL9409072 0.91 MAPT (0.55) ALDH1A1KDM4EMAPTGAARAB9A
SCHEMBL9409100 0.85 MAPT (0.59) ALDH1A1KDM4EMAPTGAARAB9A
SCHEMBL9409083 0.84 MAPT (0.61) ALDH1A1KDM4EMAPTGAARAB9A
SCHEMBL9409108 0.83 TSHR (0.51) ALDH1A1KDM4EMAPTGAASIRT2
SCHEMBL9409337 0.83 CSF1R (0.49) ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL9409164 0.83 CDC25B (0.57) ALDH1A1KDM4EMAPTSMN1; SMN2SIRT2
SCHEMBL9409163 0.82 MAPT (0.50) ALDH1A1HTTKDM4EMAPTRAB9A
SCHEMBL9409146 0.82 JAK2 (0.54) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL9409047 0.82 MAPT (0.55) KDM4EMAPTSIRT2ALOX15KMT2A
SCHEMBL9409202 0.80 MAPT (0.64) ALDH1A1MAPTGAASIRT2ALOX15

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
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