SCHEMBL8948775

SCHEMBL8948775

CC1(C)Cc2ccc(F)c(N)c2O1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 3/20 0.36
PKM P14618 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR2A P28223 1/20 0.35
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
FFAR4 Q5NUL3 3/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL8948819 0.83 HTR1D (0.34) LMNAPKMHTR1DHTR1B
SCHEMBL8123158 0.80 DHFR (0.37) ALDH1A1LMNAPKMNPSR1HTR2A
SCHEMBL8390696 0.79 PKM (0.39) ALDH1A1MAPTLMNAPKMNPSR1
SCHEMBL8385908 0.78 KMT2A (0.40) ALDH1A1MAPTLMNAPKMNPSR1
SCHEMBL8948537 0.76 ALDH1A1 (0.43) ALDH1A1MAPTLMNAPKMNPSR1
SCHEMBL8948524 0.75 ALDH1A1 (0.36) ALDH1A1MAPTLMNAPKMNPSR1
SCHEMBL18536181 0.74 ALDH1A1 (0.49) ALDH1A1MAPTLMNAPKMNPSR1
SCHEMBL8940091 0.73 ALDH1A1 (0.43) ALDH1A1MAPTLMNAPKMNPSR1
SCHEMBL569823 0.70 LMNA (0.48) ALDH1A1MAPTLMNAPKMNPSR1
Hydrochloric Acid SCHEMBL11040640 0.69 LMNA (0.47) ALDH1A1MAPTLMNAPKMNPSR1

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
US-5521147-A HERBICIDES FMC CORPORATION (US) 1996-05-28 US disclosed
WO-1995005079-A1 3-(BENZOFURAN-7-YL)-6-HALOALKYLURACILS FMC CORPORATION (US) 1995-02-23 WO disclosed