SCHEMBL6248366

SCHEMBL6248366

[CH2]Sc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
ALDH1A1 P00352 3/20 0.63
OXTR P30559 2/20 0.60
NPSR1 Q6W5P4 3/20 0.60
GLA P06280 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.55
TSHR P16473 4/20 0.55
LMNA P02545 2/20 0.55
USP2 O75604 2/20 0.55
HTT P42858 1/20 0.55
ALPG P10696 1/20 0.54
CDC25A P30304 1/20 0.54
CDC25B P30305 1/20 0.54
AVPR2 P30518 1/20 0.54
AVPR1A P37288 1/20 0.54
TP53 P04637 2/20 0.53
TNKS2 Q9H2K2 1/20 0.53
GAA P10253 2/20 0.51

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
SCHEMBL6251016 0.87 ALDH1A1 (0.67) HPGDMEN1KMT2AALDH1A1OXTR
SCHEMBL6404885 0.82 TSHR (0.72) HPGDMEN1KMT2AALDH1A1NPSR1
SCHEMBL6246139 0.81 TP53 (0.57) HPGDMEN1KMT2AALDH1A1NPSR1
SCHEMBL10627154 0.81 OXTR (0.88) HPGDMEN1KMT2AALDH1A1OXTR
SCHEMBL6405572 0.81 HPGD (0.73) HPGDMEN1KMT2AALDH1A1OXTR
SCHEMBL6406205 0.80 MEN1 (0.71) HPGDMEN1KMT2AALDH1A1NPSR1
SCHEMBL6407799 0.79 ALDH1A1 (0.74) HPGDMEN1KMT2AALDH1A1NPSR1
SCHEMBL1104405 0.78 OXTR (0.65) HPGDMEN1KMT2AALDH1A1OXTR
SCHEMBL6402656 0.78 ALDH1A1 (0.72) HPGDMEN1KMT2AALDH1A1NPSR1
SCHEMBL6285551 0.77 HPGD (0.56) HPGDMEN1KMT2AALDH1A1OXTR

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
WO-2005044008-A2 2 -AMINOTHIOPHENE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-05-19 WO disclosed