SCHEMBL3663664

SCHEMBL3663664

CCOC(=O)CN(Cc1ccc(OC)cc1OC)Cc1c(-c2ccccc2)noc1C(=O)OCC.CCOC(=O)c1onc(-c2ccccc2)c1CBr

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.41
ALDH1A1 P00352 6/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 3/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.38
GABRA5 P31644 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PLK1 P53350 1/20 0.36
TP53 P04637 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
SCHEMBL2777556 0.97 PTPN1 (0.43) PTPN1ALDH1A1PKMTSHRKDM4E
SCHEMBL2779106 0.92 POLB (0.41) PTPN1ALDH1A1TSHRKDM4EPOLB
SCHEMBL2776138 0.90 POLB (0.47) PTPN1ALDH1A1PKMTSHRKDM4E
SCHEMBL2777595 0.89 TP53 (0.39) PTPN1ALDH1A1PKMTSHRKDM4E
SCHEMBL3663330 0.87 PTPN1 (0.38) PTPN1ALDH1A1PKMTSHRKDM4E
SCHEMBL2776688 0.84 MEN1 (0.42) PTPN1ALDH1A1TSHRKDM4EPOLB
SCHEMBL2777311 0.84 ALDH1A1 (0.38) PTPN1ALDH1A1PKMTSHRKDM4E
SCHEMBL2777421 0.83 SLC26A6 (0.43) PTPN1ALDH1A1TSHRKDM4EPOLB
2-Picolinic Acid SCHEMBL3662471 0.82 PTPN1 (0.37) PTPN1ALDH1A1PKMTSHRKDM4E
SCHEMBL3660421 0.82 MAPT (0.36) PTPN1ALDH1A1TSHRKDM4EPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227475-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS Fibrogen, Inc. (US) 2010-09-15 EP disclosed
WO-2009073669-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN, INC. (US) 2009-06-11 WO disclosed