SCHEMBL7910012

SCHEMBL7910012

CCc1c(C(=O)O)ccc([N+](=O)[O-])c1NC(C)=O.c1cc2cc-2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.43
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 2/20 0.39
GALR2 O43603 1/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ABCB1 P08183 1/20 0.38
KMT2A Q03164 2/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
AKR1C1 Q04828 1/20 0.37
MEN1 O00255 1/20 0.37
KCNMA1 Q12791 1/20 0.37

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
SCHEMBL7594505 0.92 SMN1; SMN2 (0.41) FBP1TSHRSMN1; SMN2POLBGALR2
SCHEMBL7596229 0.80 KMT2A (0.42) FBP1TSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL7916876 0.80 POLB (0.48) SMN1; SMN2POLBMITFALDH1A1KMT2A
SCHEMBL7596218 0.78 LMNA (0.43) FBP1TSHRSMN1; SMN2LMNAHPGD
SCHEMBL7910018 0.78 L3MBTL1 (0.49) SMN1; SMN2ALDH1A1LMNAHPGDKMT2A
SCHEMBL7594895 0.77 RAB9A (0.49) ALDH1A1LMNAKMT2AMEN1HTT
SCHEMBL7593575 0.76 KDM4C (0.42) FBP1TSHRSMN1; SMN2POLBALDH1A1
SCHEMBL7596958 0.76 KDM4E (0.46) POLBALDH1A1LMNAKMT2AAKR1C3
SCHEMBL7596188 0.76 ALDH1A1 (0.42) ALDH1A1LMNAABCB1KMT2AMEN1
SCHEMBL7598810 0.76 RAB9A (0.56) TSHRALDH1A1LMNAKMT2AMEN1

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-6211177-B1 SIDE EFFECT REDUCTION CELL PATHWAYS, INC. 2001-04-03 US disclosed