SCHEMBL8725835

SCHEMBL8725835

Nc1n[nH]c(Oc2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
MAOA P21397 2/20 0.42
ADORA2A P29274 1/20 0.41
LTA4H P09960 1/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.40
NUDT1 P36639 1/20 0.39
BCAT2 O15382 1/20 0.39
HAO1 Q9UJM8 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAOB P27338 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
PIK3CD O00329 1/20 0.37

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
SCHEMBL9565148 0.82 LTA4H (0.42) ALDH1A1KDM4EKMT2AMEN1MAOA
SCHEMBL79476 0.72 MAOA (0.35) KDM4EKMT2AMAOALTA4HTSHR
SCHEMBL9178404 0.71 SMN1; SMN2 (0.52) ALDH1A1KDM4EKMT2AMEN1CYP1A2
SCHEMBL11135594 0.69 RAB9A (0.54) ALDH1A1KDM4EKMT2AMEN1CYP1A2
SCHEMBL4297056 0.68 MAOA (0.35) KDM4EKMT2AMAOALTA4HTSHR
SCHEMBL16828235 0.67 ADORA2A (0.55) ALDH1A1KDM4EKMT2AMAOAADORA2A
SCHEMBL1006428 0.67 PAX8 (0.63) ALDH1A1KDM4EKMT2AMEN1MAOA
SCHEMBL231832 0.66
SCHEMBL2847578 0.65 KDM4E (1.00) ALDH1A1KDM4EKMT2AMEN1CYP1A2
SCHEMBL7895245 0.65 NUDT1 (0.69) ALDH1A1KMT2AMEN1CYP1A2MAOA

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
US-5750545-A EXHIBIT EOSINOPHIL-INHIBITORY ACTION AND LYMPHOCYTE ACTIVATION-INHIBITORY ACTION; USEFUL FOR TREATMENT OF IMMUNE-RELATED DISEASES THE GREEN CROSS CORPORATION (JP) 1998-05-12 US disclosed
EP-0710654-A1 TRIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-08 EP disclosed
US-4113717-A Quaternized azo dyestuffs IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-09-12 US disclosed
US-4111929-A POLYACRYLONITRILE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-09-05 US disclosed