SCHEMBL30739788

SCHEMBL30739788

Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.64
HCAR3 P49019 1/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
ALDH1A1 P00352 3/20 0.60
MAPK1 P28482 2/20 0.60
HTT P42858 2/20 0.60
GLA P06280 1/20 0.60
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
SMN1; SMN2 Q16637 5/20 0.59
MAPT P10636 3/20 0.59
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.56
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL1455497 0.88 POLB (0.60) POLBHCAR3NPC1RAB9AALDH1A1
SCHEMBL27930262 0.86 POLB (0.61) POLBHCAR3NPC1RAB9AALDH1A1
SCHEMBL11309400 0.85 POLB (0.60) POLBHCAR3NPC1RAB9AALDH1A1
SCHEMBL30739833 0.85 POLB (0.60) POLBHCAR3NPC1RAB9AALDH1A1
SCHEMBL14900902 0.84 POLB (0.72) POLBNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL21723616 0.83 GAA (0.50) NPC1RAB9AALDH1A1MAPK1HTT
SCHEMBL6396133 0.80 KMT2A (0.85) POLBNPC1RAB9AALDH1A1HTT
SCHEMBL3116240 0.80 POLB (0.64) POLBHCAR3NPC1RAB9AALDH1A1
SCHEMBL10005082 0.80 MAPT (0.74) POLBNPC1RAB9AALDH1A1MAPK1
SCHEMBL1548208 0.80 KMT2A (0.68) POLBNPC1RAB9AALDH1A1HTT

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