SCHEMBL9767946

SCHEMBL9767946

O=C(O)C(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.43
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
CYP1A2 P05177 2/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 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
SCHEMBL9767980 0.93 HSD17B10 (0.51) LMNAKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL10581730 0.81 MEN1 (0.48) LMNAKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL34471822 0.80 HSD17B10 (0.55) LMNAKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL2528182 0.77 CYP1A2 (0.64) LMNAKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL7126585 0.77 HSD17B10 (0.55) LMNAKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL17449717 0.77 HSD17B10 (0.55) LMNAKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL3266897 0.77 CYP1A2 (0.64) LMNAKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL27462575 0.76 HSD17B10 (0.53) LMNAKDM4EALDH1A1HSD17B10KMT2A
Water SCHEMBL6057599 0.76 CYP1A2 (0.62) LMNAKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL1663175 0.75 HSD17B10 (0.60) LMNAKDM4EALDH1A1HSD17B10KMT2A

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
US-5013354-A Tetrahydrophthalimido group, herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-05-07 US disclosed