SCHEMBL7728112

SCHEMBL7728112

O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.61
MMP2 P08253 3/20 0.60
MMP9 P14780 3/20 0.60
MMP8 P22894 3/20 0.60
MMP13 P45452 3/20 0.60
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
PRMT5 O14744 1/20 0.58
BCAT2 O15382 1/20 0.57
TRPV1 Q8NER1 1/20 0.57
PTPN2 P17706 1/20 0.56
MTOR P42345 1/20 0.56
ADK P55263 1/20 0.56
NISCH Q9Y2I1 1/20 0.56
HPSE Q9Y251 1/20 0.54
JAK2 O60674 1/20 0.54
TYK2 P29597 1/20 0.54
POLB P06746 1/20 0.52
STAT3 P40763 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL16088593 0.85 ALDH1A1 (0.56) KDM4EALDH1A1TRPV1MTORADK
SCHEMBL3885090 0.84 TRPV1 (0.74) KDM4EALDH1A1TRPV1
SCHEMBL4708290 0.83 KDM4E (0.63) KDM4EALDH1A1TRPV1MTORADK
SCHEMBL15652573 0.82 ADRB2 (0.49) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL16127893 0.82 KDM4E (0.51) KDM4EALDH1A1TRPV1MTORADK
SCHEMBL6005085 0.80 ALDH1A1 (0.73) KDM4EALDH1A1MTORADKNISCH
SCHEMBL1063177 0.79 HDAC1 (0.61) KDM4EALDH1A1
SCHEMBL18085798 0.78 PTPN1 (1.00) PTPN1KDM4ETRPV1POLBSTAT3
SCHEMBL15653051 0.77 AURKA (0.52) KDM4EALDH1A1TRPV1HPSEPOLB
SCHEMBL1662948 0.76 MAPT (0.48) MMP2MMP9MMP8MMP13KDM4E

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-6403302-B1 DOUBLE HELICAL NUCLEIC ACID COMPRISING COMPLEMENTARY STRANDS AND OLIGONUCLEOTIDE BOUND TO TARGET SEQUENCE WITHIN; GENETIC ENGINEERING; DIAGNOSING GENE DISORDERS; ANTIPARALLEL ORIENTATION; NON-DENATURING CALIFORNIA INSTITUTE OF TECHNOLOGY 2002-06-11 US disclosed