SCHEMBL9844773

SCHEMBL9844773

COc1cc(C)c2c(c1)C1Cc3cc(NC(C)=O)ccc3C1N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.39
MTNR1B P49286 4/20 0.39
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL9844777 1.00 MTNR1A (0.39) MTNR1AMTNR1BCHRNB2CHRNA4TSHR
SCHEMBL9844767 1.00 MTNR1A (0.39) MTNR1AMTNR1BCHRNB2CHRNA4TSHR
SCHEMBL8946281 0.77 HTR2A (0.39) MEN1MAPTKMT2ALMNAKDM4E
SCHEMBL8946289 0.77 HTR2A (0.39) MEN1MAPTKMT2ALMNAKDM4E
SCHEMBL8946284 0.77 HTR2A (0.39) MEN1MAPTKMT2ALMNAKDM4E
SCHEMBL8946559 0.74 MAPT (0.36) MEN1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL8946552 0.74 MAPT (0.36) MEN1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL8946557 0.74 MAPT (0.36) MEN1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL8946693 0.74 ALDH1A1 (0.45) MTNR1AMTNR1BCHRNB2CHRNA4MAPT
SCHEMBL8946700 0.74 ALDH1A1 (0.45) MTNR1AMTNR1BCHRNB2CHRNA4MAPT

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-0409410-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1991-01-23 EP disclosed