SCHEMBL7589946

SCHEMBL7589946

Cc1[nH]c(C=O)c(C)c1C(=O)N1C[C@H](C)N[C@@H](C)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PAK4 O96013 1/20 0.31
ALDH1A1 P00352 3/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 2/20 0.31
GAA P10253 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
MAPT P10636 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
SCHEMBL5396490 1.00 KMT2A (0.42) KMT2AALOX15TSHRFLT1KDR
SCHEMBL5410834 1.00 KMT2A (0.42) KMT2AALOX15TSHRFLT1KDR
SCHEMBL5402361 0.79 HRH4 (0.40) KMT2AALOX15TSHRFLT1KDR
SCHEMBL6401345 0.79 LMNA (0.34) KMT2AFLT1KDRLMNAPOLB
SCHEMBL6401339 0.79 LMNA (0.34) KMT2AFLT1KDRLMNAPOLB
SCHEMBL7114644 0.78 KMT2A (0.36) KMT2AALOX15TSHRFLT1KDR
SCHEMBL7114640 0.78 KMT2A (0.36) KMT2AALOX15TSHRFLT1KDR
SCHEMBL7126259 0.78 POLB (0.33) KMT2AHPGDALDH1A1POLBGAA
SCHEMBL16466885 0.77 HPGD (0.55) KMT2AALOX15TSHRMEN1HPGD
SCHEMBL4405167 0.76 HRH4 (0.42) KMT2AALOX15TSHRFLT1KDR

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
WO-2002096361-A2 5-ARALKYLSULFONYL-3- (PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. (US) 2002-12-05 WO disclosed