SCHEMBL28218224

SCHEMBL28218224

O=c1oc2ccccc2c(F)c1-c1nc2ccccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.47
▸ PIK3CB P42338 1/20 0.47
▸ MAPT P10636 8/20 0.43
▸ ALDH1A1 P00352 7/20 0.43
▸ HPGD P15428 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ CSNK2A2 P19784 1/20 0.42
▸ CSNK2B P67870 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.42
▸ CSNK2A3 Q8NEV1 1/20 0.42
▸ KDM4E B2RXH2 8/20 0.42
▸ RAB9A P51151 7/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ PKM P14618 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ NPC1 O15118 6/20 0.41
▸ ATM Q13315 1/20 0.41

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
SCHEMBL28388321 0.84 KDM4E (0.49) PIK3CDPIK3CBMAPTALDH1A1HPGD
SCHEMBL6510910 0.84 PIK3CD (0.53) PIK3CDPIK3CBMAPTALDH1A1HPGD
SCHEMBL3442682 0.78 ELANE (0.45) PIK3CDPIK3CBMAPTALDH1A1HPGD
SCHEMBL6686583 0.77 PIK3CD (0.40) PIK3CDPIK3CBMAPTALDH1A1HPGD
SCHEMBL29528497 0.76 NPC1 (0.56) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL9352365 0.74 PIK3CD (0.60) PIK3CDPIK3CBMAPTALDH1A1HPGD
SCHEMBL13833704 0.73 MAPT (0.60) PIK3CDPIK3CBMAPTALDH1A1HPGD
SCHEMBL13822671 0.73 MAPT (0.45) PIK3CDPIK3CBMAPTALDH1A1HPGD
SCHEMBL15398164 0.72 MAPT (0.63) PIK3CDPIK3CBMAPTALDH1A1HPGD
SCHEMBL21888585 0.72 NPC1 (0.51) MAPTALDH1A1HPGDSMN1; SMN2KDM4E

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-104244944-B For treating the compound of spinal muscular atrophy PTC医疗公司 2018-06-08 — — CN disclosed
Send feedback