SCHEMBL9409042

SCHEMBL9409042

COc1ccccc1Nc1cc(C(N)=O)c(C(N)=O)cc1Nc1ccccc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.58
JAK1 P23458 4/20 0.58
TYK2 P29597 4/20 0.58
JAK3 P52333 4/20 0.58
AKR1C3 P42330 2/20 0.57
AKR1C2 P52895 2/20 0.57
HSD17B10 Q99714 3/20 0.54
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
APAF1 O14727 1/20 0.51
RECQL P46063 1/20 0.51
CASP6 P55212 1/20 0.51
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
MCL1 Q07820 1/20 0.51

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
SCHEMBL9409146 0.94 JAK2 (0.54) JAK2JAK1TYK2JAK3AKR1C3
SCHEMBL11648254 0.82 AKR1C3 (0.76) JAK2JAK1TYK2JAK3AKR1C3
SCHEMBL9409083 0.81 MAPT (0.61) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL30379236 0.80 JAK2 (0.67) JAK2JAK1TYK2JAK3AKR1C3
SCHEMBL29127153 0.80 JAK2 (0.67) JAK2JAK1TYK2JAK3AKR1C3
SCHEMBL9409100 0.79 MAPT (0.59) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3191755 0.78 MAPT (0.69) AKR1C3AKR1C2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL9409050 0.78 CSF1R (0.49) AKR1C3AKR1C2HSD17B10ALDH1A1KDM4E
SCHEMBL9409108 0.77 TSHR (0.51) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL11644754 0.77 AKR1C3 (0.68) AKR1C3AKR1C2HSD17B10ALDH1A1KDM4E

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