SCHEMBL7641445

SCHEMBL7641445

O=C1C=Cc2cnc3ncccc3c2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 4/20 0.46
▸ LMNA P02545 2/20 0.38
▸ S100A4 P26447 1/20 0.36
▸ CDC25B P30305 1/20 0.36
▸ IDO1 P14902 4/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ THRB P10828 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PTPRC P08575 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ RECQL P46063 1/20 0.34

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
SCHEMBL70455 0.75 CES1 (0.56) CES1LMNAS100A4CDC25BIDO1
SCHEMBL10528037 0.69 LMNA (0.36) LMNAHCAR2PARP1
SCHEMBL15668532 0.66 S100A4 (0.53) CES1LMNAS100A4CDC25BIDO1
SCHEMBL7559601 0.66 CES1 (0.56) CES1LMNAMEN1KMT2AKDM4E
SCHEMBL5239248 0.64 KDM4E (0.44) CES1LMNAIDO1MEN1THRB
SCHEMBL13629318 0.63 KDM4E (0.45) LMNAMEN1KMT2AKDM4EMAPT
SCHEMBL20062514 0.63 LMNA (0.43) LMNAIDO1PTPRCKDM4EMAPT
SCHEMBL380656 0.63 CES1 (1.00) CES1LMNAIDO1MEN1THRB
SCHEMBL11299370 0.63 KDM4E (0.42) CES1LMNAIDO1MEN1THRB
SCHEMBL7277320 0.62 LMNA (0.36) LMNAHCAR2PARP1

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-2002102861-A2 PROCESS FOR THE (CO)POLYMERIZATION OF CONJUGATED DIENES ENI S.P.A. (IT) 2002-12-27 — — WO disclosed
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