SCHEMBL1705698

SCHEMBL1705698

CCC(CC1CCCO1)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HTR2A P28223 5/20 0.38
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL1716814 0.86 USP2 (0.42) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL2397125 0.86 USP2 (0.42) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL2399882 0.86 USP2 (0.42) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL2398526 0.81 USP2 (0.38) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL2398386 0.81 USP2 (0.38) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL1916140 0.81 USP2 (0.38) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL14322074 0.81 USP2 (0.44) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL5674453 0.80 USP2 (0.46) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL27353605 0.79 USP2 (0.43) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL20543621 0.79 SMN1; SMN2 (0.45) USP2SMN1; SMN2HPGDTP53ALOX12

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
WO-2012078802-A1 PREPARATION OF SUBSTITUTED-4,5-DIHYDROPYRROLO[4,3,2-de][2,6]NAPHTHYRIDIN-3(1H)-ONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-14 WO claimed
EP-2440558-A1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP claimed
WO-2010144486-A1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO claimed