SCHEMBL14623161

SCHEMBL14623161

Oc1cc(C2=CCCC=C2)nc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.37
MAX P61244 1/20 0.37
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PDE10A Q9Y233 1/20 0.35
POLB P06746 2/20 0.35
ACHE P22303 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
DHODH Q02127 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.33
TRPM4 Q8TD43 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL29788468 0.82 KDM4E (0.58) KDM4ELMNASMN1; SMN2PDE10APOLB
SCHEMBL14727986 0.81 TRPM4 (0.33) TRPM4NQO2
SCHEMBL17212389 0.78 SMAD3 (0.33) KDM4ESMN1; SMN2POLBACHEMEN1
SCHEMBL9326676 0.77 MYC (0.52) MYCMAXKDM4ELMNASMN1; SMN2
SCHEMBL20352441 0.73 RAB9A (0.45) KDM4ELMNASMN1; SMN2MEN1KMT2A
SCHEMBL1256551 0.72 ACHE (0.61) KDM4ELMNASMN1; SMN2PDE10APOLB
SCHEMBL14727987 0.72 CYP2A6 (0.35) CYP1A2HPGD
SCHEMBL14727985 0.72
SCHEMBL20696076 0.71 ACHE (0.59) KDM4ELMNASMN1; SMN2PDE10APOLB
Methane SCHEMBL10433561 0.71 ACHE (0.59) KDM4ELMNASMN1; SMN2PDE10APOLB

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-2007001406-A2 ARYL-CONTAINING MACROCYCLIC COMPOUNDS CHIRON CORPORATION (US) 2007-01-04 WO disclosed