SCHEMBL29090328

SCHEMBL29090328

Fc1ccc2c(c1-c1cccc3c1Cc1ccccc1-3)Cc1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.46
PGR P06401 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAP3K9 P80192 1/20 0.38
MAP3K11 Q16584 1/20 0.38
HTR7 P34969 5/20 0.38
HTR2B P41595 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSP90AA1 P07900 1/20 0.36
MAOA P21397 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35

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
SCHEMBL30163133 0.85 PNMT (0.52) PNMTPGRNPC1RAB9AMAP3K9
SCHEMBL6658839 0.81 PNMT (0.49) PNMTPGRNPC1RAB9AMAP3K9
SCHEMBL28568070 0.81 PNMT (0.52) PNMTPGRNPC1RAB9AHTR7
SCHEMBL4022045 0.81 PNMT (0.55) PNMTPGRNPC1RAB9AMAP3K9
SCHEMBL524602 0.80 PNMT (0.63) PNMTPGRNPC1RAB9AMAP3K9
SCHEMBL30103334 0.80 PNMT (0.63) PNMTPGRNPC1RAB9AMAP3K9
SCHEMBL9811068 0.79 PNMT (0.46) PNMTPGRNPC1RAB9AMAP3K9
SCHEMBL4359047 0.79 PNMT (0.53) PNMTPGRNPC1RAB9AMAP3K9
SCHEMBL15200751 0.79 PNMT (0.50) PNMTPGRNPC1RAB9AMAP3K9
SCHEMBL9125626 0.79 PGR (0.42) PNMTPGRNPC1RAB9AMAP3K9

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
CN-115551355-A Active compound combinations and fungicide compositions comprising them 拜耳公司 2022-12-30 CN disclosed