SCHEMBL7989412

SCHEMBL7989412

NC(=O)CCc1c[nH]c2c1C(=O)CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 6/20 0.39
CAPN1 P07384 1/20 0.34
PTK2 Q05397 1/20 0.34
AURKA O14965 5/20 0.33
SLC6A4 P31645 1/20 0.33
TSHR P16473 3/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDGFRB P09619 1/20 0.31
FGFR1 P11362 1/20 0.31
KDR P35968 1/20 0.31
KDM4E B2RXH2 1/20 0.30
BRD4 O60885 1/20 0.30
BUB1 O43683 1/20 0.30

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
SCHEMBL3797505 0.87 GPR17 (0.40) PTK2AURKATSHRNPC1LMNA
SCHEMBL6695442 0.84 GPR17 (0.40) PTK2AURKATSHRNPC1LMNA
SCHEMBL6412628 0.82 PTK2 (0.35) PTK2AURKATSHRNPC1LMNA
SCHEMBL5413673 0.81 KMT2A (0.50) AURKANPC1LMNAGAASMN1; SMN2
SCHEMBL3802492 0.80 GAA (0.46) PTK2AURKATSHRNPC1LMNA
SCHEMBL6407392 0.80 ALDH1A1 (0.41) PTK2AURKATSHRNPC1LMNA
SCHEMBL6692185 0.79 CDK4 (0.33) PTK2TSHRNPC1LMNAGAA
SCHEMBL6613602 0.78 GAA (0.43) NPC1LMNAGAASMN1; SMN2KDM4E
SCHEMBL6614707 0.77 PTK2 (0.35) PTK2TSHRNPC1LMNAGAA
SCHEMBL6617381 0.77 KMT2A (0.41) NPC1LMNAGAASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000008202-A9 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN INC (US) 2000-07-27 WO disclosed
WO-2000008202-A2 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN, INC. (US) 2000-02-17 WO disclosed