SCHEMBL29074204

SCHEMBL29074204

O=C(Nc1ncc([N+](=O)[O-])s1)c1cccc(-c2ccccn2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSUN3 Q9H649 1/20 1.00
STAT3 P40763 7/20 0.59
NPC1 O15118 9/20 0.57
RAB9A P51151 9/20 0.57
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
MAPT P10636 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
THRB P10828 1/20 0.57
MAPK9 P45984 1/20 0.57
POLB P06746 1/20 0.56
PKM P14618 5/20 0.54
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MLNR O43193 1/20 0.51
NR1I2 O75469 1/20 0.51
ABCB11 O95342 1/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL13694244 0.88 NSUN3 (0.78) NSUN3STAT3NPC1RAB9AMEN1
SCHEMBL29074212 0.81 NPC1 (0.76) NSUN3NPC1RAB9AMEN1KMT2A
SCHEMBL29074219 0.79 NSUN3 (0.65) NSUN3NPC1RAB9AMAPTPKM
SCHEMBL1804666 0.78 NPC1 (0.76) NSUN3STAT3NPC1RAB9AMEN1
SCHEMBL30608755 0.75 NPC1 (0.62) NSUN3NPC1RAB9AMEN1KMT2A
SCHEMBL29074213 0.75 NPC1 (0.62) NSUN3NPC1RAB9AMEN1KMT2A
SCHEMBL29074202 0.75 NPC1 (0.74) NSUN3NPC1RAB9AMEN1KMT2A
SCHEMBL23105689 0.74 NPC1 (0.72) NSUN3STAT3NPC1RAB9AMEN1
SCHEMBL29908288 0.74 STAT3 (1.00) NSUN3STAT3NPC1RAB9AMEN1
SCHEMBL29074217 0.74 NSUN3 (0.59) NSUN3NPC1RAB9AMEN1KMT2A

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
CN-116751195-B Bipyridine compound, pharmaceutically acceptable salt thereof, preparation method and application 杭州科兴生物化工有限公司 2025-03-07 CN disclosed
CN-116751195-A Bipyridine compound, pharmaceutically acceptable salt thereof, preparation method and application 杭州科兴生物化工有限公司 2023-09-15 CN disclosed