SCHEMBL7318428

SCHEMBL7318428

CCCCc1nc(=O)c(-c2ccccc2)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
GPR84 Q9NQS5 1/20 0.42
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PDE5A O76074 2/20 0.39
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
HPGDS O60760 1/20 0.39
DCTPP1 Q9H773 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
DDX3X O00571 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 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
SCHEMBL1899895 0.78 NR1H2 (0.58) PARP1DDX3XNPC1RAB9AADORA3
SCHEMBL7316537 0.77 PARP1 (0.46) PARP1ALDH1A1HPGDNPC1RAB9A
SCHEMBL647914 0.73 HPGD (0.53) GPR84ATMNPSR1HPGDSALDH1A1
SCHEMBL7318431 0.73 PARP1 (0.56) PARP1GPR84NPSR1ALDH1A1KDM4E
SCHEMBL23646023 0.73 ATM (0.50) ATMNPSR1PDE5APDE3BPDE3A
SCHEMBL7325204 0.73 MAPT (0.41) PARP1GPR84ATMALDH1A1KDM4E
SCHEMBL26108539 0.71 ADORA2A (0.47) DDX3XNPC1RAB9AADORA2AADORA1
SCHEMBL9515033 0.71 KDM4E (0.53) PARP1GPR84ALDH1A1HPGDKDM4E
SCHEMBL28330637 0.71 MAPK14 (0.53) GPR84PDE5APDE3BPDE3ADCTPP1
SCHEMBL7322860 0.71 DCUN1D1 (0.56) ATMNPSR1HPGDSALDH1A1HPGD

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
US-6071913-A 2-(1H-TETRAZOL-5-YL)-4'-(AS-TRIAZIN-YLMETHYL)BIPHENYLS; CARDIOVASCULAR DISEASES, ESPECIALLY HYPERTENSION AND CONGESTIVE HEART FAILURE DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2000-06-06 US disclosed