SCHEMBL5583683

SCHEMBL5583683

COc1ccnc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.59
HDAC11 Q96DB2 1/20 0.53
ALDH1A1 P00352 4/20 0.48
CNR2 P34972 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL5583722 0.82 CNR2 (0.62) ALDH1A1CNR2MEN1KMT2AHPGD
SCHEMBL7571850 0.75 P2RX7 (0.74) P2RX7HDAC11ALDH1A1CNR2MEN1
SCHEMBL6084569 0.74 P2RX7 (1.00) P2RX7HDAC11ALDH1A1CNR2MEN1
SCHEMBL12586606 0.74 P2RX7 (0.56) P2RX7ALDH1A1MEN1KMT2AHPGD
SCHEMBL5583815 0.74 TDP1 (0.54) CNR2MEN1KMT2AHPGD
SCHEMBL14307432 0.74 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL14284458 0.72 EGLN1 (0.41) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL5583588 0.72 TAS1R3 (0.53) ALDH1A1KDM4E
SCHEMBL5583726 0.72 PDGFRA (0.50) ALDH1A1MEN1KMT2AHPGD
SCHEMBL14284443 0.72 RAB9A (0.48) ALDH1A1CNR2MEN1KMT2AHPGD

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
US-7183278-B1 Picolinamide derivative and harmful organism control agent comprising said picolinamide derivative as active component MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-27 US disclosed
EP-1134214-A1 PICOLINAMIDE DERIVATIVES AND PEST CONTROLLERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP disclosed