SCHEMBL28028903

SCHEMBL28028903

C=C(C)C(=O)Oc1ccc(N=Nc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.60
TRPA1 O75762 1/20 0.51
POLB P06746 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
APEX1 P27695 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 5/20 0.49
NPC1 O15118 3/20 0.49
MEN1 O00255 1/20 0.49
ATM Q13315 2/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CD69 Q07108 1/20 0.43
MAPT P10636 6/20 0.41
RAB9A P51151 3/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 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
SCHEMBL14690320 0.90 ELANE (0.57) ELANEPOLBTDP1APEX1HTT
SCHEMBL346685 0.90 ELANE (0.72) ELANEPOLBTDP1APEX1HTT
SCHEMBL28976127 0.90 ELANE (0.52) ELANETRPA1POLBTDP1APEX1
SCHEMBL941111 0.87 ELANE (0.64) ELANETRPA1TDP1KMT2ANPC1
SCHEMBL941110 0.87 ELANE (0.64) ELANETRPA1TDP1KMT2ANPC1
Benzoic Acid SCHEMBL22609156 0.85 ELANE (0.81) ELANEPOLBTDP1APEX1HTT
SCHEMBL19133742 0.85 HSD17B10 (0.69) ELANEPOLBTDP1APEX1HTT
SCHEMBL18530461 0.85 ELANE (0.81) ELANEPOLBTDP1APEX1HTT
SCHEMBL13621641 0.84 ELANE (0.51) ELANEPOLBTDP1APEX1HTT
Hydroquinone SCHEMBL28395727 0.84 ELANE (0.64) ELANEPOLBTDP1APEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105218765-B A kind of Preparation method and use of photoresponse intelligence trace mesoporous material 江苏大学 2018-06-01 CN claimed
CN-105218765-A A kind of Preparation method and use of photoresponse intelligence trace mesoporous material UNIV JIANGSU 2016-01-06 CN claimed
CN-105218765-B A kind of Preparation method and use of photoresponse intelligence trace mesoporous material 江苏大学 2018-06-01 CN disclosed
CN-105218765-A A kind of Preparation method and use of photoresponse intelligence trace mesoporous material UNIV JIANGSU 2016-01-06 CN disclosed