SCHEMBL7013453

SCHEMBL7013453

O=c1[nH]c(=O)c2c3ccccc3nnc3ccccc3c1=2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.54
TNKS2 Q9H2K2 7/20 0.46
PARP1 P09874 6/20 0.46
QTRT1 Q9BXR0 1/20 0.46
TNKS O95271 4/20 0.44
ALOX15 P16050 2/20 0.44
PDPK1 O15530 1/20 0.44
CA12 O43570 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA9 Q16790 1/20 0.44
PDE10A Q9Y233 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40

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
SCHEMBL1133100 0.81 KDM4E (0.48) GPR3TNKS2PARP1QTRT1TNKS
Benzonaphthyridine SCHEMBL51197 0.72 GPR3 (1.00) GPR3PDPK1SMN1; SMN2KMT2AALDH1A1
Benzonaphthyridine SCHEMBL30897319 0.72 GPR3 (1.00) GPR3PDPK1SMN1; SMN2KMT2AALDH1A1
Benzonaphthyridine SCHEMBL29600756 0.72 GPR3 (1.00) GPR3PDPK1SMN1; SMN2KMT2AALDH1A1
SCHEMBL379982 0.70 PARP1 (0.48) GPR3TNKS2PARP1QTRT1TNKS
SCHEMBL30067279 0.70 PARP1 (0.48) GPR3TNKS2PARP1QTRT1TNKS
SCHEMBL1179339 0.68 GPR3 (0.67) GPR3TNKS2PARP1QTRT1ALOX15
SCHEMBL20838934 0.68 GPR3 (0.46) GPR3TNKS2PARP1QTRT1TNKS
SCHEMBL29876496 0.68 GPR3 (0.46) GPR3TNKS2PARP1QTRT1TNKS
Hydrochloric Acid SCHEMBL5807955 0.68 PARP1 (0.47) GPR3TNKS2PARP1QTRT1TNKS

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
US-20030059821-A1 Biosensor surface for immobilizing and analyzing a physiologically active substance FUJIFILM CORPORATION (JP) 2003-03-27 US disclosed
EP-1293779-A2 Biosensor surface FUJI PHOTO FILM CO., LTD. (JP) 2003-03-19 EP disclosed