SCHEMBL9332805

SCHEMBL9332805

NC1(N)C=CC=C(Oc2ccccc2-c2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
HRH1 P35367 1/20 0.35
NR1I2 O75469 1/20 0.33
HSD11B1 P28845 1/20 0.33
ADRB2 P07550 3/20 0.33
PTGS2 P35354 1/20 0.33
LMNA P02545 2/20 0.32
HTR7 P34969 1/20 0.32
BRD4 O60885 2/20 0.32
ADRB1 P08588 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
AR P10275 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL1244501 0.73 ALDH1A1 (0.35) MAPK1RAB9APTGS2LMNAL3MBTL1
SCHEMBL5671293 0.70 NPC1 (0.37) RAB9ALMNAALDH1A1MAOAMAOB
SCHEMBL112422 0.69 NCOA1 (0.63) NCOA1NCOA3TP53MAPK1RAB9A
Methane SCHEMBL28000918 0.69 NPC1 (0.36) RAB9ALMNAALDH1A1MAOAMAOB
SCHEMBL6321993 0.67 NCOA1 (0.61) NCOA1NCOA3TP53MAPK1RAB9A
SCHEMBL28431579 0.67 NCOA1 (0.61) NCOA1NCOA3TP53MAPK1RAB9A
SCHEMBL10756496 0.67 NCOA1 (0.61) NCOA1NCOA3TP53MAPK1RAB9A
SCHEMBL28436320 0.67 NCOA1 (0.61) NCOA1NCOA3TP53MAPK1RAB9A
Hydrogen Sulfide SCHEMBL27922694 0.67 NCOA1 (0.61) NCOA1NCOA3TP53MAPK1RAB9A
SCHEMBL2059488 0.65 NCOA1 (0.59) NCOA1NCOA3TP53MAPK1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6097616-A None JP disclosed
JP-H0697616-A MATERIAL FOR FLEXIBLE CIRCUIT BOARD MITSUI TOATSU CHEM INC 1994-04-08 JP disclosed