SCHEMBL10828057

SCHEMBL10828057

N#Cc1nc2cc(Oc3ccc(C(F)(F)F)cc3Cl)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 5/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ TTR P02766 1/20 0.41
▸ PPOX P50336 1/20 0.41
▸ PSMB8 P28062 1/20 0.40
▸ KCNH2 Q12809 4/20 0.40
▸ HTR2A P28223 3/20 0.40
▸ SLC6A4 P31645 3/20 0.40
▸ AR P10275 1/20 0.40
▸ MRGPRX4 Q96LA9 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ DGAT1 O75907 2/20 0.36

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
SCHEMBL10828058 0.91 PSMB8 (0.49) FFAR1MEN1KMT2ATDP1TTR
SCHEMBL9332308 0.83 PSMB8 (0.40) PSMB8KCNH2ARDGAT1SOAT1
SCHEMBL9029475 0.83 RAB9A (0.50) FFAR1MEN1KMT2ATDP1KDM4E
SCHEMBL10959414 0.80 PSMB8 (0.47) PSMB8KCNH2KDM4EDGAT1SOAT1
SCHEMBL10444103 0.75 FFAR1 (0.46) FFAR1MEN1KMT2ATDP1TTR
SCHEMBL9332317 0.75 PSMB8 (0.48) PSMB8KCNH2DGAT1SOAT1
SCHEMBL921021 0.74 FFAR1 (0.54) FFAR1MEN1KMT2ATDP1TTR
SCHEMBL9298987 0.74 RAB9A (0.50) FFAR1MEN1KMT2ATDP1PSMB8
SCHEMBL10867836 0.74 MEN1 (0.56) FFAR1MEN1KMT2ATDP1TTR
SCHEMBL11095176 0.73 FFAR1 (0.65) FFAR1MEN1KMT2ATDP1TTR

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-4622323-A AGRICULTURE RHONE-POULENC AGROCHIMIE (FR) 1986-11-11 — — US disclosed
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