SCHEMBL8917079

SCHEMBL8917079

COc1ccccc1Cc1[c]cc2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 5/20 0.42
TSHR P16473 4/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL742360 0.74 PDE10A (0.61) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL5748142 0.72 NCF1 (0.39) MEN1KMT2ATDP1GAASMN1; SMN2
SCHEMBL3296809 0.71 IDO1 (0.61) LMNAGAASMN1; SMN2ALDH1A1MAPT
SCHEMBL3218795 0.71 TLR8 (0.62) MEN1KMT2ATLR8
SCHEMBL27606460 0.70 TSHR (0.44) LMNATSHRMAPK1TDP1GAA
SCHEMBL7666004 0.70 KMT2A (0.49) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL9870736 0.69 ALDH1A1 (0.43) MEN1KMT2ALMNATSHRMAPK1
SCHEMBL178081 0.69 TLR8 (0.42) MEN1KMT2ALMNAMAPK1TDP1
SCHEMBL4917488 0.68 IDO1 (0.46) LMNATSHRMAPK1TDP1GAA
SCHEMBL18148586 0.68 LMNA (0.48) LMNAALDH1A1POLB

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
US-5654309-A KIDNEY, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-08-05 US disclosed