SCHEMBL4754296

SCHEMBL4754296

c1ccc(Cn2cc(-c3ccccc3)c3ccccc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.61
KCNH2 Q12809 1/20 0.61
DYRK1A Q13627 1/20 0.61
F2RL3 Q96RI0 1/20 0.61
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
TSHR P16473 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
POLB P06746 1/20 0.56
ESR1 P03372 1/20 0.56
PDE4A P27815 3/20 0.55
PDE4B Q07343 3/20 0.55
PDE4C Q08493 3/20 0.55
PDE4D Q08499 3/20 0.55
PDE3B Q13370 3/20 0.55
PDE3A Q14432 3/20 0.55
HTR6 P50406 2/20 0.55
LMNA P02545 1/20 0.53

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
SCHEMBL5355132 0.89 F2RL3 (0.62) SIRT2KCNH2DYRK1AF2RL3MEN1
SCHEMBL7441184 0.89 F2RL3 (0.55) SIRT2KCNH2DYRK1AF2RL3MEN1
SCHEMBL12260323 0.86 F2RL3 (0.49) SIRT2KCNH2DYRK1AF2RL3MEN1
SCHEMBL5357642 0.85 F2RL3 (0.58) SIRT2KCNH2DYRK1AF2RL3MEN1
SCHEMBL5309430 0.81 PDE4A (0.58) SIRT2MEN1ALDH1A1TSHRKMT2A
Propionic Acid SCHEMBL19133584 0.79 F2RL3 (0.64) SIRT2KCNH2DYRK1AF2RL3MEN1
SCHEMBL7113697 0.79 POLB (0.74) MEN1ALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL5622616 0.78 SMN1; SMN2 (0.60) SIRT2MEN1ALDH1A1TSHRKMT2A
SCHEMBL28938412 0.78 F2RL3 (1.00) SIRT2F2RL3ALDH1A1SMN1; SMN2PDE4A
SCHEMBL7441180 0.78 SIRT2 (0.53) SIRT2F2RL3MEN1ALDH1A1TSHR

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-2008147246-A1 CATALYST FOR DEHYDROGENATION OF 4,5,6,7 TETRAHYDROINDOLE INTO INDOLE AND METHOD FOR PREPARING THEREOF A.E. FAVORSKY IRKUTSK INSTITUTE OF CHEMISTRY SIBERIAN BRANCH RUSSIAN ACADEMY OF SCIENCES (IRIH SB RAS) (RU) 2008-12-04 WO disclosed