SCHEMBL10439265

SCHEMBL10439265

C(=NOCC1CO1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
MGLL Q99685 3/20 0.43
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.38
PLA2G7 Q13093 1/20 0.38
TAAR1 Q96RJ0 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
SCHEMBL11267310 1.00 TDP1 (0.49) TDP1SMN1; SMN2NPC1GAARAB9A
SCHEMBL11253419 0.83 KMT2A (0.41) TDP1SMN1; SMN2NPC1RAB9AMGLL
SCHEMBL11253395 0.83 KMT2A (0.41) TDP1SMN1; SMN2NPC1RAB9AMGLL
SCHEMBL24130977 0.79 NPC1 (0.47) SMN1; SMN2NPC1GAARAB9ALMNA
SCHEMBL3090232 0.76 TAAR1 (0.40) SMN1; SMN2NPC1GAARAB9ALMNA
SCHEMBL3090233 0.76 TAAR1 (0.40) SMN1; SMN2NPC1GAARAB9ALMNA
SCHEMBL8068468 0.73 TDP1 (0.53) TDP1SMN1; SMN2MGLLALDH1A1GLA
SCHEMBL12176875 0.73 ALDH1A1 (0.50) TDP1SMN1; SMN2NPC1GAARAB9A
SCHEMBL2592598 0.73 ALDH1A1 (0.50) TDP1SMN1; SMN2NPC1GAARAB9A
SCHEMBL2592589 0.73 ALDH1A1 (0.50) TDP1SMN1; SMN2NPC1GAARAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0369944-A1 Substituted oxadiamino butanes CIBA-GEIGY AG (CH) 1990-05-23 EP disclosed
US-4358450-A FOR DECREASING BLOOD CHOLESTEROL HOECHST AKTIENGESELLSCHAFT (DE) 1982-11-09 US disclosed
US-4328227-A HYPOTENSIVE AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1982-05-04 US disclosed