SCHEMBL29185129

SCHEMBL29185129

Cc1cc(C(N)=O)cc2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.45
MKNK2 Q9HBH9 2/20 0.45
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
IL1B P01584 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SYK P43405 2/20 0.40
CAMKK2 Q96RR4 1/20 0.40
AR P10275 1/20 0.40
NUDT1 P36639 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCR1 P32246 1/20 0.40
CCR8 P51685 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PARP1 P09874 1/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
SARM1 Q6SZW1 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40

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
SCHEMBL18320732 0.79 DHODH (0.46) IL1BALDH1A1SYKSMN1; SMN2KDM4E
SCHEMBL30158262 0.74 KDM4E (0.46) IL1BALDH1A1SYKSMN1; SMN2KDM4E
SCHEMBL5542655 0.74 CYP1A2 (0.47) CYP1A2CYP1B1ALDH1A1SYKNUDT1
SCHEMBL5542662 0.74 ALDH1A1 (0.48) CYP1A2CYP1B1IL1BALDH1A1SYK
SCHEMBL3969039 0.73 ALDH1A1 (0.52) CYP1A2CYP1B1ALDH1A1SYKCCR1
SCHEMBL31068033 0.71 ALDH1A1 (0.55) MKNK1MKNK2CYP1A2ALDH1A1AR
SCHEMBL30628188 0.71 F7 (0.47) MKNK1MKNK2ALDH1A1ARSMN1; SMN2
SCHEMBL2232014 0.71 ALDH1A1 (0.55) MKNK1MKNK2CYP1A2ALDH1A1AR
SCHEMBL1198665 0.71 F7 (0.47) MKNK1MKNK2ALDH1A1ARSMN1; SMN2
SCHEMBL31731727 0.71 KDM5A (0.45) MKNK1MKNK2CAMKK2ARNUDT1

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
CN-117813006-A Methods for controlling diamide-resistant pests and compounds thereof 先正达农作物保护股份公司 2024-04-02 CN disclosed