SCHEMBL28334783

SCHEMBL28334783

Clc1ccc2cc(-c3cnc4cc[c]cc4n3)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.51
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPT P10636 1/20 0.36
▸ KDR P35968 2/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ HCK P08631 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ EPHB4 P54760 1/20 0.35
▸ PRKDC P78527 1/20 0.35
▸ BACE1 P56817 3/20 0.35
▸ FGFR3 P22607 1/20 0.35
▸ BCHE P06276 1/20 0.33

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
SCHEMBL28958230 0.77 NPC1 (0.38) HPGDNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18526971 0.75 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2
SCHEMBL865202 0.71 CRHBP (0.32) —
SCHEMBL28334784 0.71 DHODH (0.39) NPC1RAB9ASMN1; SMN2MAPTKDR
SCHEMBL14833277 0.71 MAPK1 (0.52) KDRFGFR3
SCHEMBL19924588 0.68 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2
SCHEMBL20456886 0.68 HPGD (1.00) HPGD
SCHEMBL31038422 0.68 HPGD (1.00) HPGD
SCHEMBL6232953 0.68 CRHBP (0.32) —
SCHEMBL5438885 0.68 NPC1 (0.54) HPGDNPC1RAB9ASMN1; SMN2MAPT

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-110573154-A Compositions and methods for modulating short-chain dehydrogenase activity 卡斯西部储备大学 2019-12-13 — — CN disclosed
Send feedback