SCHEMBL1967049

SCHEMBL1967049

O=c1cc(O)c2cc(Cl)cn2n1Cc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.44
ALDH1A1 P00352 4/20 0.42
AGTR1 P30556 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PKM P14618 1/20 0.39
MARS1 P56192 2/20 0.39
GABRA1 P14867 1/20 0.38
GABRA5 P31644 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NOX4 Q9NPH5 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL1964900 0.75 HSP90B1 (0.46) ADRA1DALDH1A1GRIN1GRIN2BPKM
SCHEMBL1965863 0.74 EGLN1 (0.45) ALDH1A1PKMHIF1AKDM4ELMNA
SCHEMBL1968380 0.71 ALDH1A1 (0.42) ADRA1DALDH1A1PKMCYP3A4KDM4E
SCHEMBL1968383 0.71 ALDH1A1 (0.42) ADRA1DALDH1A1PKMCYP3A4KDM4E
SCHEMBL8314773 0.62 ALDH1A1 (0.72) ALDH1A1AGTR1MEN1KMT2APKM
SCHEMBL4375968 0.61 NOX4 (0.46) ALDH1A1AGTR1GRIN1GRIN2BMEN1
SCHEMBL30292038 0.61 ADRA1D (0.46) ADRA1DALDH1A1MEN1KMT2APKM
SCHEMBL2970930 0.61 ALDH1A1 (0.47) ALDH1A1AGTR1MEN1KMT2APKM
SCHEMBL1860321 0.61 LMNA (0.53) ALDH1A1GRIN1GRIN2BMEN1KMT2A
SCHEMBL15230184 0.60 MAPT (0.46) ADRA1DALDH1A1MEN1KMT2APKM

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-2334682-A1 PYRROLO [ 1, 2 -B] PYRIDAZINE DERIVATIVES AND THEIR USE AS HIF MODULATORS Fibrogen, Inc. (US) 2011-06-22 EP disclosed
WO-2010022240-A1 PYRROLO [ 1, 2 -B] PYRIDAZINE DERIVATIVES AND THEIR USE AS HIF MODULATORS FIBROGEN, INC. (US) 2010-02-25 WO disclosed