SCHEMBL28200510

SCHEMBL28200510

CCc1ccc(C(=O)Nc2cccc(CN)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.57
SIRT1 Q96EB6 1/20 0.57
SIRT3 Q9NTG7 1/20 0.57
TRPV1 Q8NER1 1/20 0.57
TPSAB1 Q15661 2/20 0.55
TPSD1 Q9BZJ3 2/20 0.55
TPSG1 Q9NRR2 2/20 0.55
ALDH1A1 P00352 1/20 0.54
PARP1 P09874 1/20 0.54
NR1H4 Q96RI1 1/20 0.53
HPSE Q9Y251 1/20 0.52
RAB9A P51151 2/20 0.52
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
NPC1 O15118 1/20 0.51
ACKR3 P25106 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.50
F2 P00734 1/20 0.50
PLG P00747 1/20 0.50
PLAU P00749 1/20 0.50

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
SCHEMBL8269604 0.96 ALDH1A1 (0.59) SIRT2SIRT1SIRT3TRPV1ALDH1A1
SCHEMBL13779847 0.88 TRPV1 (0.66) TRPV1ALDH1A1RAB9ANPC1
SCHEMBL28197185 0.86 PLAU (0.60) TRPV1RAB9ANPC1LOXL2F2
SCHEMBL28956237 0.85 KMT2A (0.57) NR1H4HPSEITGB3ITGA2BLOXL2
SCHEMBL6681834 0.85 KCNK3 (0.69) SIRT1HPSERAB9ANPC1
SCHEMBL1229626 0.84 MEN1 (0.71) SIRT2SIRT1SIRT3HPSERAB9A
SCHEMBL8462054 0.82 NR1H4 (0.59) ALDH1A1NR1H4HPSERAB9A
SCHEMBL17683761 0.82 ALDH1A1 (0.57) SIRT2SIRT1SIRT3TRPV1ALDH1A1
SCHEMBL13719121 0.82 MEN1 (0.67) TRPV1ALDH1A1RAB9ANPC1
SCHEMBL7893547 0.82 MEN1 (0.67) ALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107652200-B A method of N- aryl Zhong Fang amide is synthesized using aryl hydrazine 陕西科技大学 2019-06-14 CN disclosed
CN-107652200-A A kind of method that N aryl Zhong Fang acid amides is synthesized using aryl hydrazine 陕西科技大学 2018-02-02 CN disclosed