SCHEMBL9409146

SCHEMBL9409146

COC(=O)c1cc(Nc2ccccc2OC)c(Nc2ccccc2OC)cc1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.54
JAK1 P23458 4/20 0.54
TYK2 P29597 4/20 0.54
JAK3 P52333 4/20 0.54
HSD17B10 Q99714 5/20 0.53
KDM4E B2RXH2 4/20 0.53
MAPT P10636 4/20 0.53
ALDH1A1 P00352 4/20 0.53
GAA P10253 2/20 0.53
HPGD P15428 1/20 0.53
AKR1C3 P42330 2/20 0.52
AKR1C2 P52895 2/20 0.52
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
LMNA P02545 2/20 0.47
APAF1 O14727 1/20 0.47

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
SCHEMBL9409042 0.94 JAK2 (0.58) JAK2JAK1TYK2JAK3HSD17B10
SCHEMBL9409100 0.87 MAPT (0.59) HSD17B10KDM4EMAPTALDH1A1GAA
SCHEMBL9409083 0.85 MAPT (0.61) HSD17B10KDM4EMAPTALDH1A1GAA
SCHEMBL9409337 0.84 CSF1R (0.49) HSD17B10KDM4EMAPTALDH1A1HPGD
SCHEMBL9409108 0.84 TSHR (0.51) HSD17B10KDM4EMAPTALDH1A1GAA
SCHEMBL9409163 0.83 MAPT (0.50) HSD17B10KDM4EMAPTALDH1A1HPGD
SCHEMBL9409047 0.83 MAPT (0.55) KDM4EMAPTHPGDAKR1C3AKR1C2
SCHEMBL9409103 0.82 ALDH1A1 (0.50) HSD17B10KDM4EMAPTALDH1A1GAA
SCHEMBL9409202 0.81 MAPT (0.64) HSD17B10MAPTALDH1A1GAAAKR1C3
SCHEMBL9409063 0.80 GAA (0.46) HSD17B10KDM4EMAPTALDH1A1GAA

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