SCHEMBL9254902

SCHEMBL9254902

CN(c1ccccc1)c1ccccc1C(=O)c1ccccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GAA P10253 2/20 0.56
TP53 P04637 1/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.56
AKR1C3 P42330 3/20 0.48
ALOX15 P16050 1/20 0.48
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CDC25B P30305 4/20 0.46
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CDC25A P30304 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 2/20 0.43
GLA P06280 1/20 0.43
POLB P06746 2/20 0.42

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
SCHEMBL4249310 0.89 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2GAATP53MAPT
SCHEMBL9050046 0.80 TSHR (0.47) ALDH1A1SMN1; SMN2GAATP53MAPT
SCHEMBL6120416 0.79 TSHR (0.44) ALDH1A1SMN1; SMN2GAATP53MAPT
SCHEMBL28281091 0.79 AKR1C3 (0.50) ALDH1A1SMN1; SMN2GAATP53MAPT
SCHEMBL18158039 0.79 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAATP53MAPT
SCHEMBL2762268 0.79 MAPT (0.46) ALDH1A1SMN1; SMN2GAATP53MAPT
SCHEMBL2636255 0.78 KDM4E (0.46) ALDH1A1SMN1; SMN2GAATP53MAPT
SCHEMBL28286416 0.78 NR4A1 (0.49) ALDH1A1SMN1; SMN2GAATP53MAPT
SCHEMBL29698713 0.78 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2GAATP53MAPT
SCHEMBL29698736 0.77 LMNA (0.57) ALDH1A1SMN1; SMN2GAATP53MAPT

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
US-5426192-A Heat or pressure sensitive recording materials CIBA-GEIGY CORPORATION (US) 1995-06-20 US disclosed
US-5329006-A Heat and pressure sensitive elements for copies CIBA-GEIGY CORPORATION (US) 1994-07-12 US disclosed