SCHEMBL9298987

SCHEMBL9298987

N#Cc1nc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.50
▸ PSMB8 P28062 1/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ LMNA P02545 5/20 0.45
▸ HPGD P15428 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ MAPT P10636 2/20 0.45
▸ XBP1 P17861 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ SCN9A Q15858 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ LIPE Q05469 1/20 0.42

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
SCHEMBL9029475 0.92 RAB9A (0.50) RAB9ASMN1; SMN2LMNAHPGDHTT
SCHEMBL10828058 0.83 PSMB8 (0.49) PSMB8MAPTTDP1MEN1KMT2A
SCHEMBL9299696 0.83 RAB9A (0.55) RAB9ASMN1; SMN2LMNAHPGDHTT
SCHEMBL9332317 0.82 PSMB8 (0.48) PSMB8
SCHEMBL8942532 0.77 LMNA (0.60) RAB9ASMN1; SMN2LMNAHPGDHTT
SCHEMBL11360493 0.76 SMN1; SMN2 (0.71) RAB9ASMN1; SMN2LMNAHPGDHTT
SCHEMBL10828057 0.74 FFAR1 (0.42) PSMB8HPGDALDH1A1MAPTKDM4E
SCHEMBL9299682 0.74 RAB9A (0.55) RAB9ASMN1; SMN2LMNAHPGDHTT
SCHEMBL10959419 0.73 DGAT1 (0.60) PSMB8MAPT
SCHEMBL9332308 0.73 PSMB8 (0.40) PSMB8

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-5376657-A Fungicides CIBA-GEIGY CORPORATION (US) 1994-12-27 — — US disclosed
Send feedback