SCHEMBL9825294

SCHEMBL9825294

C1=C(c2ccc[nH]2)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
ACMSD Q8TDX5 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
ELANE P08246 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TYMP P19971 1/20 0.34
PTGS2 P35354 1/20 0.34
F2RL1 P55085 1/20 0.33
CSF1R P07333 1/20 0.33
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
PSMB5 P28074 3/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
AURKA O14965 1/20 0.31

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
SCHEMBL2088246 0.94 ACMSD (0.38) JAK2JAK1JAK3ACMSDTDP1
SCHEMBL10793933 0.73 ACMSD (0.53) JAK2JAK1JAK3ACMSDTDP1
SCHEMBL21807796 0.72 AURKA (0.35) AURKAKDRHDAC1
SCHEMBL8380044 0.72 ACMSD (0.49) ACMSDTDP1ELANEMEN1KMT2A
SCHEMBL191429 0.72 ACMSD (0.49) ACMSDTDP1ELANEMEN1KMT2A
SCHEMBL4790461 0.71 SIGMAR1 (0.60)
SCHEMBL1094676 0.70 ACMSD (0.47) ACMSDTDP1ELANEMEN1KMT2A
SCHEMBL8360447 0.70 ACMSD (0.47) ACMSDTDP1ELANEMEN1KMT2A
SCHEMBL1109740 0.70 ACMSD (0.47) ACMSDTDP1ELANEMEN1KMT2A
SCHEMBL1109745 0.70 ACMSD (0.47) ACMSDTDP1ELANEMEN1KMT2A

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-0248393-B1 METHOD FOR THE PREPARATION OF ACYLATED HETEROAROMATICS AT ZEOLITHIC CATALYSTS BASF Aktiengesellschaft (DE) 1991-08-07 EP disclosed