SCHEMBL9204708

SCHEMBL9204708

COc1ccc(Oc2ccc3nnn(C)c3c2)c(Cn2cncn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP11B1 P15538 1/20 0.38
NLRP3 Q96P20 1/20 0.34
SCN9A Q15858 1/20 0.34
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34

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
SCHEMBL9200301 0.89 CYP19A1 (0.38) CYP19A1MEN1KMT2AALDH1A1MAPT
SCHEMBL9202290 0.89 CYP19A1 (0.39) CYP19A1CYP11B1KDM4EHTR2ASLC6A4
SCHEMBL9201287 0.89 CYP19A1 (0.39) CYP19A1MEN1KMT2AALDH1A1MAPT
SCHEMBL8936722 0.89 CYP19A1 (0.46) CYP19A1MEN1KMT2AALDH1A1CYP11B1
SCHEMBL8936723 0.89 CYP19A1 (0.39) CYP19A1ALDH1A1MAPTSMN1; SMN2CYP11B1
SCHEMBL8936729 0.88 CYP19A1 (0.41) CYP19A1MEN1KMT2AALDH1A1MAPT
SCHEMBL8936780 0.86 KDM4E (0.38) CYP19A1CYP11B1SCN9AKDM4EHTR2A
SCHEMBL8936761 0.86 CYP19A1 (0.44) CYP19A1CYP11B1SCN9AHTR2ASLC6A4
SCHEMBL8936774 0.86 CYP19A1 (0.39) CYP19A1MEN1KMT2AALDH1A1MAPT
SCHEMBL8936685 0.86 CYP19A1 (0.37) CYP19A1ALDH1A1MAPTSMN1; SMN2CYP11B1

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
EP-0684235-A1 Novel azolyl methyl phenyl derivatives having aromatase inhibitory activity MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1995-11-29 EP disclosed