SCHEMBL1966448

SCHEMBL1966448

O=c1cc(O)c2cc(Cl)cn2n1Cc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.48
ADRA1D P25100 1/20 0.45
GABRA5 P31644 3/20 0.44
GABRA1 P14867 2/20 0.44
COMT P21964 1/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
KMT2A Q03164 4/20 0.41
PKM P14618 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 5/20 0.40
MARS1 P56192 2/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL1966964 0.76 KDM4E (0.47) SRCADRA1DGABRA5GABRA1GRIN1
SCHEMBL1969356 0.74 EGLN1 (0.49) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL1967481 0.71 GPR132 (0.43) ADRA1DGABRA5GABRA1KMT2AMEN1
SCHEMBL1967484 0.71 GPR132 (0.43) ADRA1DGABRA5GABRA1KMT2AMEN1
SCHEMBL15225647 0.66 ADRA1D (0.64) ADRA1DGABRA5GABRA1KMT2APKM
SCHEMBL7984544 0.66 SRC (1.00) SRCGABRA5GABRA1GRIN1GRIN2B
SCHEMBL4384391 0.64 SRC (0.51) SRCGABRA5GABRA1GRIN1GRIN2B
SCHEMBL11157121 0.64 ADRA1D (0.52) ADRA1DGABRA5GABRA1GRIN1GRIN2B
SCHEMBL25827237 0.64 GABRA5 (0.48) SRCGABRA5GABRA1GRIN1GRIN2B
SCHEMBL3348293 0.63 KDM4E (0.67) ADRA1DGABRA1KMT2AALDH1A1MAPT

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