SCHEMBL28053447

SCHEMBL28053447

c1csc(-c2nc3ncncc3[nH]2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.55
METAP2 P50579 1/20 0.55
ALDH1A1 P00352 8/20 0.53
KDM4E B2RXH2 7/20 0.53
HPGD P15428 7/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
HSD17B10 Q99714 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
GAA P10253 3/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
MAPT P10636 5/20 0.47
TP53 P04637 3/20 0.47
GLA P06280 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46

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
SCHEMBL3441561 0.78 METAP1 (0.69) METAP1METAP2ALDH1A1KDM4EHPGD
SCHEMBL18042290 0.78 KDM4E (0.52) METAP1ALDH1A1KDM4EHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL6382797 0.77 METAP1 (0.68) METAP1METAP2ALDH1A1KDM4EHPGD
SCHEMBL9990569 0.77 METAP1 (0.63) METAP1METAP2RAB9ANPY5RPDE10A
SCHEMBL1811572 0.76 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL680854 0.74 METAP2 (0.65) METAP1METAP2ALDH1A1NPC1RAB9A
SCHEMBL16332241 0.74 ALDH1A1 (0.67) METAP1METAP2ALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL4456676 0.73 METAP2 (0.63) METAP1METAP2ALDH1A1NPC1RAB9A
SCHEMBL4875487 0.72 METAP1 (0.67) METAP1METAP2NPY5R
SCHEMBL369485 0.72 METAP2 (0.61) METAP1METAP2ALDH1A1KDM4EHPGD

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
CN-105246918-A Growth hormone secretagogue receptor related protein, nucleic acid, preparation method and application thereof WANG QINGHUA 2016-01-13 CN disclosed