SCHEMBL17817954

SCHEMBL17817954

CCc1nc(C(=O)O)c(O)c2c(Cl)cn(Cc3ccccc3)c12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
P2RX7 Q99572 4/20 0.41
EGLN1 Q9GZT9 5/20 0.40
RNASEH1 O60930 2/20 0.38
NOTUM Q6P988 1/20 0.36
P2RX3 P56373 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
CYP2D6 P10635 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 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
SCHEMBL2883525 0.88 CRHBP (0.45) TSHRP2RX7KDM4ESMN1; SMN2
SCHEMBL2884036 0.87 EGLN1 (0.54) EGLN1
SCHEMBL17817948 0.86 GAA (0.44) GAAPKMTSHRP2RX7EGLN1
SCHEMBL27743462 0.83 P2RX7 (0.38) P2RX7EGLN1KDM4ETP53CYP2D6
SCHEMBL2888968 0.77 CRHBP (0.46) TSHRP2RX7KDM4ETP53SMN1; SMN2
SCHEMBL2881083 0.77 CRHBP (0.46) TSHRP2RX7EGLN1KDM4ETP53
SCHEMBL2887339 0.75 CYP1A2 (0.47) GAATSHREGLN1CYP2D6SMN1; SMN2
SCHEMBL2887944 0.74 EGLN1 (0.57) EGLN1
SCHEMBL2886667 0.74 EGLN1 (0.63) EGLN1
SCHEMBL2886519 0.73 EGLN1 (0.45) EGLN1KDM4ESMN1; SMN2

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-2016078-B1 PYRROLO- AND THIAZOLO-PYRIDINE COMPOUNDS AS HIF MODULATORS FIBROGEN INC (US) 2016-06-15 EP disclosed