SCHEMBL11074249

SCHEMBL11074249

O=C(O)c1cc([N+](=O)[O-])cc(Sc2ccccc2)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.50
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
POLB P06746 3/20 0.46
BCL2L1 Q07817 1/20 0.46
MAPT P10636 6/20 0.46
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
ALDH1A1 P00352 4/20 0.44
PDE7B Q9NP56 1/20 0.43
CASP6 P55212 1/20 0.42
GAA P10253 2/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 1/20 0.41
CYP19A1 P11511 1/20 0.41

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
SCHEMBL7920060 0.82 PDE7A (0.60) PDE7AMEN1KMT2APOLBMAPT
SCHEMBL11317378 0.81 CA1 (0.56) MEN1KMT2APOLBMAPTCTSV
SCHEMBL9295580 0.77 SIRT1 (0.47) MEN1KMT2APOLBBCL2L1MAPT
SCHEMBL2963062 0.75 LMNA (0.64) PDE7AMEN1KMT2APOLBBCL2L1
SCHEMBL26676263 0.74 HSP90AA1 (0.53) PDE7AMEN1KMT2APOLBMAPT
SCHEMBL28569657 0.73 CA1 (0.49) MEN1KMT2APOLBMAPTCTSV
SCHEMBL11075437 0.72 MAPT (0.42) PDE7AMEN1KMT2APOLBBCL2L1
SCHEMBL11674799 0.72 SIRT1 (0.46) MEN1KMT2APOLBMAPTALDH1A1
Ammonia Solution, Strong SCHEMBL31538141 0.72 CA1 (0.47) MEN1KMT2APOLBMAPTCTSV
SCHEMBL19045039 0.72 TDP1 (0.59) PDE7AMEN1KMT2APOLBBCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4480105-A PHOTOCROSSLINKING POLYMERS CIBA-GEIGY CORPORATION (US) 1984-10-30 US disclosed
US-4385182-A SENSITIZERS OR PHOTOINITIATORS CIBA-GEIGY CORPORATION (US) 1983-05-24 US disclosed
US-4363917-A SENSITIZERS FOR PHOTOCROSSLINKABLE POLYMERS; PHOTOPOLYMERIZATION INITIATORS CIBA-GEIGY CORPORATION (US) 1982-12-14 US disclosed