SCHEMBL11601709

SCHEMBL11601709

CCOc1nc2ccc(Cl)cc2[n+]([O-])n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 3/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.38
EHMT2 Q96KQ7 1/20 0.36
ALDH1A1 P00352 1/20 0.34
MAT2A P31153 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SRC P12931 1/20 0.33
DHFR P00374 1/20 0.33

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
SCHEMBL11602156 0.89 DHODH (0.38) TSHRHPGDPOLBGAAKMT2A
SCHEMBL11601383 0.87 PDGFRB (0.38) KMT2AALDH1A1MAT2AL3MBTL1TDP1
SCHEMBL11665663 0.85 KCNA3 (0.42) KMT2AMAT2ASRC
SCHEMBL11603229 0.84 RAB9A (0.33) ALDH1A1MAT2ATDP1
SCHEMBL11602714 0.83 MAT2A (0.46) HPGDKMT2AALDH1A1MAT2AKDM4E
SCHEMBL11601773 0.83 RAB9A (0.32) MAT2ATDP1
SCHEMBL11602976 0.82 HPGD (0.38) TSHRHPGDGAAKMT2AALDH1A1
SCHEMBL11603107 0.79 GABRP (0.37) HPGDPOLBKMT2AALDH1A1MAT2A
SCHEMBL782083 0.76 ALDH1A1 (0.37) HPGDKMT2AALDH1A1KDM4EMAPT
SCHEMBL11317440 0.74 CYP1A2 (0.35) POLBGAAKMT2AALDH1A1L3MBTL1

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
US-4067981-A FUNGICIDES, BACTERICIDES, INSECTICIDES, ACARICIDES BAYER AKTIENGESELLSCHAFT (DT) 1978-01-10 US disclosed