SCHEMBL28813110

SCHEMBL28813110

Clc1ccc(Oc2ccccc2)c2ncccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.59
▸ KDM4E B2RXH2 10/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ ALOX12 P18054 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ MAPK1 P28482 1/20 0.55
▸ MAPT P10636 5/20 0.51
▸ HSP90AA1 P07900 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ BRD4 O60885 1/20 0.51
▸ METAP2 P50579 1/20 0.51
▸ METAP1 P53582 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ KMT2A Q03164 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49

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
SCHEMBL16620693 0.86 KDM4E (0.52) GAAKDM4ECYP3A4ALOX12TDP1
SCHEMBL20554411 0.81 HSP90AA1 (0.51) GAAKDM4ECYP3A4MAPTHSP90AA1
SCHEMBL3976299 0.78 KDM4E (0.63) GAAKDM4ECYP3A4ALOX12TDP1
SCHEMBL2770506 0.78 KDM4E (0.65) GAAKDM4ECYP3A4ALOX12TDP1
SCHEMBL16364141 0.75 KDM4E (0.59) GAAKDM4ECYP3A4ALOX12TDP1
SCHEMBL27485639 0.75 KDM4E (0.57) GAAKDM4ECYP3A4ALOX12TDP1
SCHEMBL10650819 0.75 PKM (0.62) GAAKDM4ECYP3A4ALOX12TDP1
SCHEMBL196536 0.74 KDM4E (0.70) GAAKDM4ECYP3A4ALOX12TDP1
SCHEMBL17970100 0.74 KDM4E (0.60) GAAKDM4ECYP3A4ALOX12TDP1
SCHEMBL13625112 0.74 KDM4E (0.60) GAAKDM4ECYP3A4ALOX12TDP1

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
CN-103910675-A Synthesis and screening of sulfonate antibacterial anti-mite agent and compounding of novel anti-mite agent WENZHOU YIKANG HOUSING HEALTH PRODUCT RESPONSIBILITY CO LTD 2014-07-09 — — CN disclosed
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