SCHEMBL7322677

SCHEMBL7322677

Cc1nnc(-c2ccccc2)n(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
AGTR1 P30556 2/20 0.39
AGTR2 P50052 2/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL7321568 0.89 ADORA2B (0.41) MAPTALDH1A1SMN1; SMN2AGTR2LMNA
SCHEMBL7325814 0.83 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL588365 0.81 AGTR1 (0.41) MAPTALDH1A1AGTR1AGTR2
SCHEMBL7315308 0.80 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2AGTR1AGTR2LMNA
SCHEMBL9402002 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2AGTR1AGTR2LMNA
SCHEMBL9871103 0.77 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL7820191 0.77 PPARG (0.51) AGTR1
SCHEMBL9262511 0.76 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNARECQLRAB9A
SCHEMBL7435772 0.76 BCL2 (0.41) AGTR1
SCHEMBL7819140 0.76 AGTR1 (0.58) AGTR1

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