SCHEMBL5787503

SCHEMBL5787503

CC(C)N(C(=O)c1cccnc1C=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.40
TSHR P16473 2/20 0.39
P2RX4 Q99571 2/20 0.39
NAPRT Q6XQN6 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
BLM P54132 1/20 0.35
AGER Q15109 1/20 0.35
P2RX7 Q99572 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL9737760 0.81 LMNA (0.56) RIPK1SMN1; SMN2LMNAALDH1A1L3MBTL1
SCHEMBL4406065 0.79 NAPRT (0.58) RIPK1TSHRP2RX4NAPRTSMN1; SMN2
SCHEMBL14626001 0.79 RIPK1 (0.43) RIPK1TSHRP2RX4NAPRTSMN1; SMN2
SCHEMBL13714099 0.76 LMNA (0.44) TSHRNAPRTSMN1; SMN2LMNAKDM4E
SCHEMBL9735902 0.75 MAPT (0.44) RIPK1TSHRP2RX4SMN1; SMN2LMNA
SCHEMBL30023037 0.74 SMN1; SMN2 (0.60) TSHRNAPRTSMN1; SMN2LMNAKDM4E
SCHEMBL1310961 0.74 SMN1; SMN2 (0.60) TSHRNAPRTSMN1; SMN2LMNAKDM4E
SCHEMBL24631848 0.74 SMN1; SMN2 (0.36) TSHRNAPRTSMN1; SMN2LMNAKDM4E
SCHEMBL4556787 0.73 TDP1 (0.54) TSHRLMNAKDM4ETDP1ALDH1A1
SCHEMBL5929445 0.73 KDM4E (0.43) RIPK1TSHRP2RX4NAPRTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664027-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-06-07 EP disclosed
WO-2005021532-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2005-03-10 WO disclosed