SCHEMBL903098

SCHEMBL903098

COC1C=Cc2ccccc2C1c1noc(C)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 6/20 0.33
LMNA P02545 5/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 5/20 0.33
HPGD P15428 3/20 0.33
POLB P06746 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.33
PTBP1 P26599 1/20 0.33
ATM Q13315 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL4861904 0.67 P2RX4 (0.34) GAAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4861911 0.67 P2RX4 (0.34) GAAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL6889091 0.66 RECQL (0.43) GAAKMT2AMEN1SMN1; SMN2HTT
SCHEMBL12951634 0.65 CYP2D6 (0.39) KMT2AMEN1SMN1; SMN2LMNACYP2D6
SCHEMBL13998263 0.65 CYP2D6 (0.39) KMT2AMEN1SMN1; SMN2LMNACYP2D6
SCHEMBL4862023 0.65 CYP2D6 (0.39) KMT2AMEN1SMN1; SMN2LMNACYP2D6
SCHEMBL14074341 0.65 CYP2D6 (0.39) KMT2AMEN1SMN1; SMN2LMNACYP2D6
SCHEMBL470293 0.65 KDM4E (0.31) KMT2AMEN1HTTALDH1A1KDM4E
SCHEMBL903069 0.63 GAA (0.33) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL23062876 0.62 BRD4 (0.40) GAAKMT2AMEN1SMN1; SMN2HTT

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-2012044531-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-05 WO disclosed