SCHEMBL7245352

SCHEMBL7245352

CC(C)C(N)Sc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.48
EHMT1 Q9H9B1 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
PI4KA P42356 1/20 0.35
PI4K2B Q8TCG2 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
NPC1 O15118 2/20 0.35

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
SCHEMBL5061383 0.84 EHMT2 (0.52) EHMT2EHMT1APOBEC3GHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL17633942 0.82 EHMT2 (0.50) EHMT2EHMT1APOBEC3GHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL10706712 0.82 EHMT2 (0.50) EHMT2EHMT1APOBEC3GHPGDSMN1; SMN2
SCHEMBL9967715 0.80 EHMT2 (0.52) EHMT2EHMT1APOBEC3GHPGDSMN1; SMN2
SCHEMBL9888690 0.79 EHMT2 (0.56) EHMT2EHMT1APOBEC3GHPGDSMN1; SMN2
SCHEMBL30495965 0.79 EHMT2 (0.56) EHMT2EHMT1APOBEC3GHPGDSMN1; SMN2
SCHEMBL7459671 0.76 EHMT2 (0.52) EHMT2EHMT1APOBEC3GHPGDSMN1; SMN2
SCHEMBL7818128 0.76 EHMT2 (0.52) EHMT2EHMT1APOBEC3GHPGDSMN1; SMN2
SCHEMBL11822520 0.74 SMN1; SMN2 (0.51) EHMT2EHMT1APOBEC3GHPGDSMN1; SMN2
SCHEMBL8147146 0.73 HPGD (0.50) EHMT2EHMT1APOBEC3GHPGDSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6639109-B1 Reacting amino alcohol with sulfuric acid then reacting resulting amino sulfate with a mercaptan; simple, safe, rapid NIHON NOHYAKU CO., LTD. (JP) 2003-10-28 US disclosed
EP-1216988-A1 THIOALKYLAMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Nihon Nohyaku Co., Ltd. (JP) 2002-06-26 EP disclosed