SCHEMBL27848308

SCHEMBL27848308

COc1cccc(-n2c(-c3nc4ccccc4o3)cnc2-c2ccc(C)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.52
▸ HPGD P15428 7/20 0.52
▸ SMN1; SMN2 Q16637 6/20 0.52
▸ HSD17B10 Q99714 6/20 0.52
▸ KDM4E B2RXH2 6/20 0.52
▸ NPC1 O15118 5/20 0.52
▸ TP53 P04637 5/20 0.52
▸ RAB9A P51151 5/20 0.52
▸ NFKB1 P19838 2/20 0.52
▸ NFKB2 Q00653 2/20 0.52
▸ RELA Q04206 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ GLA P06280 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ HSPD1 P10809 1/20 0.46
▸ PTPN2 P17706 1/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ PTPN5 P54829 1/20 0.46
▸ HSPE1 P61604 1/20 0.46
▸ MAPT P10636 3/20 0.43

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
SCHEMBL27848407 0.81 NPC1 (0.48) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL27848320 0.81 NPC1 (0.43) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL2687461 0.75 THRB (0.54) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL27848324 0.74 HPGD (0.44) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL27848305 0.74 NPC1 (0.44) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL27865377 0.73 PTPN2 (0.42) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL592290 0.72 ALDH1A1 (0.72) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL27848485 0.72 PTPN2 (0.40) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL27848319 0.71 MEN1 (0.48) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL27865414 0.71 MET (0.43) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E

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-102428080-A Therapeutic or prophylactic agent for diseases in which neurotrophic factor activity participates SUMITOMO CHEMICAL CO 2012-04-25 — — CN disclosed
Send feedback