SCHEMBL26568720

SCHEMBL26568720

O=C(Nc1ccccc1)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.61
▸ MEN1 O00255 7/20 0.57
▸ KMT2A Q03164 7/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ TDP1 Q9NUW8 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ LMNA P02545 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ METAP2 P50579 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ CHRNB2 P17787 1/20 0.49
▸ CHRNB4 P30926 1/20 0.49

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
SCHEMBL18273924 0.94 MEN1 (0.68) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL17115774 0.94 MEN1 (0.68) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL26066561 0.94 MEN1 (0.68) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL12190106 0.91 MEN1 (0.54) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL12190103 0.88 KMT2A (0.59) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL18273922 0.87 MEN1 (0.49) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL12190098 0.87 KMT2A (0.50) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL18330532 0.86 KMT2A (0.57) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL31710075 0.85 MEN1 (0.53) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL12190104 0.84 KDM4E (0.58) MEN1KMT2ANPC1RAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117800827-A Preparation method of medicine intermediate 2,3,4, 5-tetrafluorobenzoic acid 盐城嘉昊辰科技有限公司 2024-04-02 — — CN claimed
CN-117800827-A Preparation method of medicine intermediate 2,3,4, 5-tetrafluorobenzoic acid 盐城嘉昊辰科技有限公司 2024-04-02 — — CN disclosed
CN-117800827-A Preparation method of medicine intermediate 2,3,4, 5-tetrafluorobenzoic acid 盐城嘉昊辰科技有限公司 2024-04-02 — — CN disclosed
Send feedback