SCHEMBL9690163

SCHEMBL9690163

Cc1ccc(-c2nnc3cc(C)cnn23)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NFKB1 P19838 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
MAPT P10636 6/20 0.33
DNMT1 P26358 1/20 0.33
GAA P10253 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA2 P47869 1/20 0.32
CRHR1 P34998 1/20 0.32
TP53 P04637 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL9691130 0.75 HSD11B1 (0.43) GABRA1GABRG2GABRB3GABRA2NPSR1
SCHEMBL9689111 0.73 KDM4E (0.46) HPGDHSD17B10LMNAKDM4EMAPT
SCHEMBL9689092 0.73 GABRA1 (0.37) ALDH1A1HPGDHSD17B10LMNACYP1A2
SCHEMBL9690137 0.72 CYP2A6 (0.46) ALDH1A1HPGDHSD17B10LMNACYP1A2
SCHEMBL2747352 0.71 HSD11B1 (0.55) ALDH1A1HPGDHSD17B10MAPTGAA
SCHEMBL18323596 0.71 KDM4E (0.50) ALDH1A1HPGDHSD17B10LMNACYP1A2
SCHEMBL9691180 0.71 HPGD (0.56) ALDH1A1HPGDHSD17B10LMNACYP1A2
SCHEMBL9691041 0.71 RAB9A (0.36) ALDH1A1HPGDHSD17B10LMNACYP1A2
SCHEMBL9691208 0.69 RXFP1 (0.48) ALDH1A1HPGDHSD17B10KDM4EALOX15
SCHEMBL9690839 0.69 HPGD (0.41) ALDH1A1HPGDHSD17B10LMNACYP1A2

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
EP-0483027-A2 Triazolopyridazines, methods for their preparation, their use as herbicides and intermediates RHONE-POULENC AGROCHIMIE (FR) 1992-04-29 EP disclosed