SCHEMBL11269801

SCHEMBL11269801

N=C(N)Sc1cnc2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.51
HTT P42858 2/20 0.51
KDM4E B2RXH2 4/20 0.49
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 6/20 0.46
RXFP1 Q9HBX9 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE10A Q9Y233 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
BCHE P06276 1/20 0.39
GPR3 P46089 1/20 0.37

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
Hydrochloric Acid SCHEMBL11257095 0.98 HPGD (0.50) HPGDHTTKDM4EGAASMN1; SMN2
SCHEMBL5717746 0.75 KDM4E (0.74) HPGDHTTKDM4EGAASMN1; SMN2
SCHEMBL7205313 0.74 HPGD (0.64) HPGDHTTKDM4EGAASMN1; SMN2
SCHEMBL13768213 0.71 HPGD (0.60) HPGDHTTKDM4EGAASMN1; SMN2
SCHEMBL29163011 0.71 HTT (0.60) HPGDHTTKDM4EGAASMN1; SMN2
SCHEMBL5717828 0.69 KDM4E (0.61) HPGDHTTKDM4EGAASMN1; SMN2
SCHEMBL11882485 0.68 KDM4E (0.52) HPGDHTTKDM4EGAASMN1; SMN2
Hydrochloric Acid SCHEMBL11673060 0.68 LMNA (0.51) HPGDGAANPSR1NPC1RAB9A
SCHEMBL30129312 0.68 HPGD (1.00) HPGDHTTKDM4EGAASMN1; SMN2
SCHEMBL11262261 0.68 ALDH1A1 (0.45) HPGDHTTKDM4EGAASMN1; SMN2

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
US-4349674-A Quinoalinyl esters of carbamimidothioic acids AMERICAN HOME PRODUCTS CORPORATION (US) 1982-09-14 US disclosed