SCHEMBL9502647

SCHEMBL9502647

CC(=NO)c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.59
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
ALDH1A1 P00352 1/20 0.48
CDC25B P30305 2/20 0.47
ATM Q13315 1/20 0.47
POLB P06746 1/20 0.46
NR4A1 P22736 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 1/20 0.45
MYC P01106 1/20 0.44
ELANE P08246 2/20 0.44
HSD17B10 Q99714 2/20 0.43
CDC25A P30304 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL9496010 0.82 ALDH1A1 (0.61) AKR1C3MAPTALDH1A1CDC25BPOLB
SCHEMBL700595 0.81 AKR1C3 (0.85) AKR1C3GAAMAPTALDH1A1CDC25B
SCHEMBL29447165 0.81 AKR1C3 (0.85) AKR1C3GAAMAPTALDH1A1CDC25B
SCHEMBL822891 0.79 AKR1C3 (0.68) AKR1C3GAAMAPTALDH1A1CDC25B
SCHEMBL5144374 0.79 KDM4E (0.41) MAPTALDH1A1POLBKMT2AELANE
SCHEMBL28883310 0.79 AKR1C3 (0.81) AKR1C3GAAMAPTALDH1A1CDC25B
Fluoride SCHEMBL28319246 0.79 AKR1C3 (0.81) AKR1C3GAAMAPTALDH1A1CDC25B
SCHEMBL27991433 0.78 AKR1C3 (0.61) AKR1C3GAAMAPTALDH1A1CDC25B
Ethane SCHEMBL27457042 0.78 AKR1C3 (0.65) AKR1C3GAAMAPTALDH1A1CDC25B
Methane SCHEMBL27433583 0.78 AKR1C3 (0.65) AKR1C3GAAMAPTALDH1A1CDC25B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0332158-B1 RADIATION-SENSITIVE PHOTORESIST COMPOSITION FOR EXPOSURE TO DEEP ULTRAVIOLET RADIATION HOECHST CELANESE CORPORATION (US) 1993-05-26 EP claimed
US-5104770-A POSITIVE-WORKING PHOTORESIST COMPOSITIONS HOECHST CELANESE CORPORATION (US) 1992-04-14 US claimed
EP-0332158-A2 Radiation-sensitive photoresist composition for exposure to deep ultraviolet radiation HOECHST CELANESE CORPORATION (US) 1989-09-13 EP claimed
EP-0332158-B1 RADIATION-SENSITIVE PHOTORESIST COMPOSITION FOR EXPOSURE TO DEEP ULTRAVIOLET RADIATION HOECHST CELANESE CORPORATION (US) 1993-05-26 EP disclosed
US-5104770-A POSITIVE-WORKING PHOTORESIST COMPOSITIONS HOECHST CELANESE CORPORATION (US) 1992-04-14 US disclosed
EP-0332158-A2 Radiation-sensitive photoresist composition for exposure to deep ultraviolet radiation HOECHST CELANESE CORPORATION (US) 1989-09-13 EP disclosed