SCHEMBL9201010

SCHEMBL9201010

CCc1cnoc1-c1ccc(OC)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
CYP19A1 P11511 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
EGFR P00533 1/20 0.41
HEXA P06865 1/20 0.41
HEXB P07686 1/20 0.41
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 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
SCHEMBL5775254 0.85 MEN1 (0.56) MEN1KMT2ACYP19A1CYP2C9CYP2C19
SCHEMBL5774360 0.81 LMNA (0.57) MEN1KMT2AKDM4EGAALMNA
SCHEMBL5772652 0.80 MEN1 (0.52) MEN1KMT2ACYP19A1CYP2C9CYP2C19
SCHEMBL5776975 0.80 KMT2A (0.49) MEN1KMT2AKDM4EGAALMNA
SCHEMBL9200948 0.79 MEN1 (0.47) MEN1KMT2ACYP19A1CYP2C9CYP2C19
SCHEMBL1167880 0.78 KMT2A (0.66) MEN1KMT2ACYP19A1CYP2C9CYP2C19
SCHEMBL1167690 0.77 KMT2A (1.00) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL30078294 0.77 KMT2A (1.00) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL5651574 0.76 MEN1 (0.82) MEN1KMT2ACYP19A1CYP2C9CYP2C19
SCHEMBL20507215 0.76 MEN1 (0.48) MEN1KMT2ACYP19A1CYP2C9CYP2C19

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
EP-0435381-B1 Antipicornaviral pyridazinamines JANSSEN PHARMACEUTICA NV (BE) 1995-11-02 EP disclosed
US-5196535-A Viricides JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-23 US disclosed
US-5100893-A Viricides, effective against picorna virus, durability JANSSEN PHARMACEUTICA N.V. (BE) 1992-03-31 US disclosed
EP-0435381-A1 Antipicornaviral pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-07-03 EP disclosed