SCHEMBL9409200

SCHEMBL9409200

COC(=O)c1cc(Nc2cccc(C)c2)c(Nc2cccc(C)c2)cc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.52
AKR1C2 P52895 2/20 0.52
SYK P43405 6/20 0.51
CSF1R P07333 1/20 0.49
SIRT2 Q8IXJ6 7/20 0.48
MAPT P10636 3/20 0.47
ALOX15 P16050 1/20 0.47
AURKB Q96GD4 2/20 0.46
SIRT1 Q96EB6 3/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
ZAP70 P43403 1/20 0.44
KCNH2 Q12809 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
SCHEMBL9409184 0.91 SYK (0.57) AKR1C3AKR1C2SYKCSF1RSIRT2
SCHEMBL9409062 0.86 SIRT2 (0.47) SIRT2MAPTALOX15SIRT1MAPK1
SCHEMBL9409034 0.86 ALDH1A1 (0.56) AKR1C3AKR1C2SIRT2MAPTALOX15
SCHEMBL9409202 0.85 MAPT (0.64) AKR1C3AKR1C2SIRT2MAPTALOX15
SCHEMBL9409093 0.85 LMNA (0.52) CSF1RSIRT2MAPTALOX15SIRT1
SCHEMBL9409049 0.85 AKR1C3 (0.58) AKR1C3AKR1C2SYKSIRT2MAPT
SCHEMBL9409094 0.84 SIRT2 (0.54) AKR1C3AKR1C2SIRT2MAPTALOX15
SCHEMBL9409168 0.84 AKR1C3 (0.56) AKR1C3AKR1C2SIRT2MAPTALOX15
SCHEMBL9409026 0.84 SIRT2 (0.55) SYKSIRT2MAPTALOX15SIRT1
SCHEMBL9409059 0.83 ALDH1A1 (0.58) AKR1C3AKR1C2SIRT2MAPTMAPK1

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