SCHEMBL2732845

SCHEMBL2732845

O=C(O)C(=O)c1nc2ccccc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.61
RAB9A P51151 5/20 0.61
NPC1 O15118 4/20 0.61
HPGD P15428 3/20 0.61
PKM P14618 1/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
ALDH1A1 P00352 3/20 0.60
L3MBTL1 Q9Y468 3/20 0.56
LMNA P02545 2/20 0.55
TSHR P16473 2/20 0.55
ALOX15 P16050 1/20 0.55
CASP1 P29466 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
MAPK1 P28482 3/20 0.53
TP53 P04637 1/20 0.51

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
SCHEMBL19031391 0.87 ALDH1A1 (0.63) SMN1; SMN2RAB9ANPC1HPGDPKM
SCHEMBL28727291 0.85 SMN1; SMN2 (0.65) SMN1; SMN2RAB9ANPC1HPGDPKM
SCHEMBL836745 0.85 SMN1; SMN2 (0.65) SMN1; SMN2RAB9ANPC1HPGDPKM
SCHEMBL27714204 0.83 SMN1; SMN2 (0.63) SMN1; SMN2RAB9ANPC1HPGDPKM
Hydrochloric Acid SCHEMBL3610419 0.83 SMN1; SMN2 (0.63) SMN1; SMN2RAB9ANPC1HPGDPKM
SCHEMBL6319718 0.82 ALDH1A1 (0.66) SMN1; SMN2RAB9ANPC1HPGDPKM
SCHEMBL2170056 0.81 ALDH1A1 (0.64) SMN1; SMN2RAB9ANPC1HPGDPKM
SCHEMBL24751 0.80 HSD17B1 (0.62) SMN1; SMN2RAB9ANPC1HPGDPKM
SCHEMBL569032 0.79 ALDH1A1 (0.67) SMN1; SMN2RAB9ANPC1HPGDPKM
SCHEMBL369480 0.79 ALDH1A1 (0.62) SMN1; SMN2RAB9ANPC1HPGDPKM

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
CN-107592788-A The method for handling crop plants 阿格洛法士公司 2018-01-16 CN disclosed
EP-3213635-A1 USE OF AGROCHEMICAL MIXTURES FOR INCREASING THE HEALTH OF A PLANT BASF SE (DE) 2017-09-06 EP disclosed
US-20120149572-A1 USE OF AGROCHEMICAL MIXTURES FOR INCREASING THE HEALTH OF A PLANT BASF SE (DE) 2012-06-14 US disclosed
EP-2445341-A2 USE OF AGROCHEMICAL MIXTURES FOR INCREASING THE HEALTH OF A PLANT BASF SE (DE) 2012-05-02 EP disclosed
WO-2010149732-A2 USE OF AGROCHEMICAL MIXTURES FOR INCREASING THE HEALTH OF A PLANT BASF SE (DE) 2010-12-29 WO disclosed
CN-1553802-A Camptothecin derivatives ����������̫ƽ��ҽѧ���� 2004-12-08 CN disclosed