SCHEMBL30739620

SCHEMBL30739620

O=C(Nc1ccc(F)cc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.72
KCNMA1 Q12791 3/20 0.70
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
MAPK1 P28482 2/20 0.67
ALDH1A1 P00352 2/20 0.67
GLA P06280 1/20 0.67
CASP3 P42574 1/20 0.67
HTT P42858 1/20 0.67
SENP8 Q96LD8 1/20 0.67
SENP7 Q9BQF6 1/20 0.67
SENP6 Q9GZR1 1/20 0.67
MAPT P10636 2/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
HDAC1 Q13547 1/20 0.61
ABCC1 P33527 4/20 0.57
ABCB1 P08183 4/20 0.57
POLB P06746 1/20 0.57
PHGDH O43175 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL20241807 0.89 HCAR3 (0.60) HCAR3KCNMA1NPC1RAB9AMAPK1
SCHEMBL14082191 0.85 HCAR3 (0.57) HCAR3KCNMA1NPC1RAB9AMAPK1
SCHEMBL30739928 0.84 HCAR3 (0.66) HCAR3KCNMA1NPC1RAB9AMAPK1
SCHEMBL10752705 0.84 HCAR3 (0.74) HCAR3NPC1RAB9AMAPK1ALDH1A1
SCHEMBL27657641 0.84 HCAR3 (0.74) HCAR3KCNMA1NPC1RAB9AMAPK1
SCHEMBL1266704 0.83 KCNMA1 (0.62) HCAR3KCNMA1NPC1RAB9AMAPK1
SCHEMBL1266702 0.83 KCNMA1 (0.62) HCAR3KCNMA1NPC1RAB9AMAPK1
SCHEMBL14402986 0.83 HCAR3 (0.72) HCAR3KCNMA1NPC1RAB9AMAPK1
SCHEMBL11147988 0.83 HCAR3 (0.72) HCAR3KCNMA1NPC1RAB9AMAPK1
SCHEMBL18932833 0.82 GAA (0.60) HCAR3KCNMA1NPC1RAB9AMAPK1

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-118044519-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-05-17 CN disclosed
CN-110072842-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-02-02 CN disclosed