SCHEMBL27462575

SCHEMBL27462575

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.53
LMNA P02545 3/20 0.50
CYP1A2 P05177 3/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.47
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
CYP2C19 P33261 2/20 0.47
RORC P51449 2/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47

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
SCHEMBL2528182 0.89 CYP1A2 (0.64) HSD17B10LMNACYP1A2KDM4EALDH1A1
SCHEMBL3266897 0.89 CYP1A2 (0.64) HSD17B10LMNACYP1A2KDM4EALDH1A1
Water SCHEMBL6057599 0.87 CYP1A2 (0.62) HSD17B10LMNACYP1A2KDM4EALDH1A1
SCHEMBL7126585 0.85 HSD17B10 (0.55) HSD17B10LMNACYP1A2KDM4EALDH1A1
SCHEMBL8280283 0.84 HSD17B10 (0.53) HSD17B10LMNACYP1A2KDM4EALDH1A1
SCHEMBL28040574 0.84 KMT2A (0.55) HSD17B10LMNACYP1A2KDM4EALDH1A1
SCHEMBL23205017 0.80 TDP1 (0.55) HSD17B10LMNAKDM4EALDH1A1KMT2A
SCHEMBL14439930 0.80 POLB (0.50) HSD17B10LMNAKDM4EALDH1A1KMT2A
SCHEMBL16293544 0.80 KMT2A (0.49) HSD17B10LMNAKDM4EALDH1A1KMT2A
SCHEMBL1663175 0.80 HSD17B10 (0.60) HSD17B10LMNACYP1A2KDM4EALDH1A1

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
CN-1142492-A Substituted N-(indole-2-carbonyl)-glycinamides and derivatives as antidiabetic agents PFIZER (US) 1997-02-12 CN disclosed