SCHEMBL11601677

SCHEMBL11601677

CC(C)Oc1nc2ccc(Br)cc2[n+]([O-])n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
RAB9A P51151 1/20 0.35
PRNP P04156 1/20 0.34
ALDH1A1 P00352 2/20 0.32
HTT P42858 3/20 0.32
HRH4 Q9H3N8 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
AMY1A P0DUB6 2/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
ALOX12 P18054 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL11603107 0.82 GABRP (0.37) LMNAALDH1A1GABRA1GABRG2GABRB3
SCHEMBL11601474 0.81 CRHBP (0.50) LMNARAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL25074844 0.76 ALDH1A1 (0.36) LMNARAB9AALDH1A1HTTAMY1A
SCHEMBL11603037 0.75 CRHBP (0.43) RAB9AALDH1A1SMN1; SMN2POLBCRHBP
SCHEMBL780542 0.73 HTT (0.44) LMNARAB9AALDH1A1HTTAMY1A
SCHEMBL29864683 0.73 HTT (0.44) LMNARAB9AALDH1A1HTTAMY1A
SCHEMBL29864601 0.73 HTT (0.44) LMNARAB9AALDH1A1HTTAMY1A
SCHEMBL781713 0.73 PABPC1 (0.47) ALDH1A1HTTHRH4MAPT
SCHEMBL29864519 0.73 ALOX15 (0.35) LMNARAB9AALDH1A1HTTAMY1A
SCHEMBL29864530 0.73 PABPC1 (0.47) ALDH1A1HTTHRH4MAPT

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