SCHEMBL26445841

SCHEMBL26445841

Cc1ccc2c(c1)nnn2CC(C)(C)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.45
RAB9A P51151 5/20 0.43
GAA P10253 5/20 0.43
NPC1 O15118 4/20 0.43
MGAM O43451 3/20 0.43
AMY1A P0DUB6 3/20 0.43
SI P14410 3/20 0.43
MGAM2 Q2M2H8 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HCAR3 P49019 5/20 0.42
MAPT P10636 2/20 0.42
KCNMA1 Q12791 2/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 2/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL20985958 0.83 KDM4E (0.44) NAMPTNPC1HCAR3MAPTHSD17B10
SCHEMBL26935472 0.83 PKM (0.42) NAMPTSMN1; SMN2HCAR3MAPTLMNA
SCHEMBL26449157 0.83 AR (0.49) NAMPTRAB9AGAAMGAMAMY1A
SCHEMBL26935726 0.81 HCAR3 (0.40) NAMPTHCAR3MAPTPOLB
SCHEMBL4221495 0.80 NAMPT (0.49) NAMPTRAB9AGAANPC1MGAM
SCHEMBL13523597 0.78 HCAR3 (0.59) NAMPTRAB9AGAANPC1MGAM
SCHEMBL26442594 0.78 HCAR3 (0.49) NAMPTRAB9AGAANPC1MGAM
SCHEMBL20986085 0.77 ALDH1A1 (0.46) GAAMGAMAMY1ASIMGAM2
SCHEMBL19911474 0.77 NAMPT (0.49) NAMPTRAB9AGAANPC1MGAM
SCHEMBL17728250 0.77 NAMPT (0.49) NAMPTRAB9AGAANPC1MGAM

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
EP-4306520-A1 THIOPHENE COMPOUND AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2024-01-17 EP disclosed
WO-2023179078-A1 IMIDAZO [1,2-A] PYRAZINE OR PYRAZOLO [1,5-A] PYRIMIDINE DERIVATIVE AND USE THEREOF 腾讯科技(深圳)有限公司 2023-09-28 WO disclosed