SCHEMBL8808348

SCHEMBL8808348

[NH]c1n[nH]c(=O)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
PRMT5 O14744 1/20 0.53
AR P10275 8/20 0.50
PARP1 P09874 1/20 0.50
POLB P06746 3/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL555279 0.78 ATM (0.57) ATMNPSR1PRMT5ARPARP1
SCHEMBL1032659 0.76 PRMT5 (0.60) ATMNPSR1PRMT5ARPARP1
SCHEMBL599352 0.74 NPSR1 (0.57) ATMNPSR1PRMT5ARPARP1
SCHEMBL16012918 0.74 ATM (0.57) ATMNPSR1PRMT5ARPARP1
SCHEMBL4060640 0.74 ATM (0.57) ATMNPSR1PRMT5ARPARP1
SCHEMBL765469 0.74 ATM (0.57) ATMNPSR1PRMT5ARPARP1
SCHEMBL9766383 0.74 ATM (0.57) ATMNPSR1PRMT5ARPARP1
SCHEMBL555280 0.74 ATM (0.57) ATMNPSR1PRMT5ARPARP1
SCHEMBL17571634 0.74 ATM (0.52) ATMNPSR1PRMT5ARPARP1
SCHEMBL1012344 0.73 KDM4E (0.58) KDM4EALDH1A1GAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0539805-B1 Phthalazines substituted on position 1 by an ether group and process for their preparation ASTA MEDICA AG (DE) 1997-09-03 EP disclosed
US-4239759-A Morpholino containing compounds, compositions and use thereof MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-12-16 US disclosed
US-4110447-A Anti-inflammatory (halo-4-biphenylyl)-alkanolamines MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1978-08-29 US disclosed