SCHEMBL28065853

SCHEMBL28065853

c1cnn(-c2cc[nH]c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPK1 P28482 2/20 0.46
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
LMNA P02545 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
G6PD P11413 1/20 0.38
NPC1 O15118 1/20 0.38
CHRNA7 P36544 1/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36
CHRNA9 Q9UGM1 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36

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
2-Picolinic Acid SCHEMBL28102317 0.80 LMNA (0.51) NOTUMALDH1A1KDM4EMAPK1ERCC1
SCHEMBL4341894 0.75 NOTUM (0.78) NOTUMALDH1A1KDM4EMAPK1LMNA
SCHEMBL30500485 0.72 KDM4E (0.50) NOTUMALDH1A1KDM4EMAPK1ERCC1
SCHEMBL2364817 0.72
SCHEMBL27250 0.72 NOTUM (0.65) NOTUMALDH1A1KDM4EMAPK1LMNA
Hydrochloric Acid SCHEMBL15510676 0.70 NOTUM (0.63) NOTUMALDH1A1KDM4EMAPK1LMNA
SCHEMBL5934873 0.70 NOTUM (0.57) NOTUMALDH1A1KDM4EMAPK1ERCC1
SCHEMBL6428811 0.70 NOTUM (0.63) NOTUMALDH1A1KDM4EMAPK1LMNA
SCHEMBL514704 0.70 NOTUM (0.63) NOTUMALDH1A1KDM4EMAPK1LMNA
SCHEMBL28493417 0.70 NOTUM (0.63) NOTUMALDH1A1KDM4EMAPK1LMNA

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-105682461-B Pesticidal combination and relative method 美国陶氏益农公司 2019-06-14 CN disclosed
CN-105682461-A Pesticidal compositions and related methods 美国陶氏益农公司 2016-06-15 CN disclosed