SCHEMBL21376960

SCHEMBL21376960

CCCCCc1ccnc(N2CCOCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.50
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ OGA O60502 1/20 0.41
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRL1 P41146 1/20 0.41
▸ LRRK2 Q5S007 4/20 0.41
▸ ELOVL1 Q9BW60 1/20 0.41
▸ THRA P10827 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ CYP2C19 P33261 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ PIK3CB P42338 1/20 0.40

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
SCHEMBL13069962 0.90 PIK3CA (0.53) PIK3CAKMT2AOGAHCRTR1HCRTR2
SCHEMBL8197483 0.84 PIK3CA (0.59) PIK3CASMN1; SMN2OGAHCRTR1HCRTR2
SCHEMBL7363690 0.83 AOC3 (0.54) OPRM1OPRL1
SCHEMBL13725415 0.81 LRRK2 (0.50) PIK3CAOGAOPRM1OPRL1LRRK2
SCHEMBL13028832 0.80 PIK3CA (0.50) PIK3CASMN1; SMN2OGAHCRTR1HCRTR2
SCHEMBL27114925 0.79 PIK3CA (0.40) PIK3CAOGAHCRTR1HCRTR2OPRM1
SCHEMBL8358064 0.78 PIK3CA (0.54) PIK3CASMN1; SMN2OGAHCRTR1HCRTR2
SCHEMBL5718308 0.78 PIK3CA (0.54) PIK3CASMN1; SMN2OGAHCRTR1HCRTR2
SCHEMBL2459118 0.78 PIK3CA (0.54) PIK3CASMN1; SMN2OGAHCRTR1HCRTR2
SCHEMBL3742630 0.78 PIK3CA (0.57) PIK3CALRRK2ABL1PIK3CB

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
EP-3101015-B1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME EA PHARMA CO LTD (JP) 2019-09-18 — — EP disclosed
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