SCHEMBL7316543

SCHEMBL7316543

CCCCc1nnc(Cc2ccccc2)c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
PARP1 P09874 1/20 0.54
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 2/20 0.46
LMNA P02545 1/20 0.46
DAO P14920 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL7321697 0.88 PARP1 (0.54) POLBPARP1LMNADAOHTT
SCHEMBL7318431 0.76 PARP1 (0.56) PARP1ALDH1A1CYP2C9DAOKDM4E
SCHEMBL7316537 0.74 PARP1 (0.46) POLBPARP1ALDH1A1HPGDCYP2C9
SCHEMBL11816803 0.73 ALDH1A1 (0.53) POLBPARP1ALDH1A1HPGDCYP2C9
SCHEMBL23886056 0.70 CAPN1 (0.55) POLBPARP1ALDH1A1HPGDCYP2C9
SCHEMBL168776 0.70 PARP1 (1.00) PARP1KMT2AMEN1
SCHEMBL29900512 0.70 PARP1 (1.00) PARP1KMT2AMEN1
SCHEMBL312985 0.70 POLB (0.40) POLBPARP1ALDH1A1HPGD
SCHEMBL7323966 0.70 PARP1 (0.56) POLBPARP1ALDH1A1HPGDLMNA
SCHEMBL7323950 0.70 PARP1 (0.56) POLBPARP1ALDH1A1HPGDLMNA

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