SCHEMBL8095050

SCHEMBL8095050

COC12CCC(c3ccc(C(=O)NCCCCSc4nccn4C)cc3)(CC1)CC2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
ALDH1A1 P00352 8/20 0.38
KMT2A Q03164 6/20 0.38
POLB P06746 5/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HDAC1 Q13547 1/20 0.38
LMNA P02545 1/20 0.37
RGS12 O14924 1/20 0.37
ALPL P05186 1/20 0.37
ALPG P10696 1/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL8098115 0.77 NPC1 (0.48) SMN1; SMN2RAB9ANPC1ALDH1A1POLB
SCHEMBL8091666 0.76 NPC1 (0.47) SMN1; SMN2RAB9ANPC1ALDH1A1KMT2A
SCHEMBL8095330 0.75 NPC1 (0.49) RAB9ANPC1ALDH1A1POLBHDAC1
SCHEMBL8090137 0.74 NPC1 (0.45) SMN1; SMN2RAB9ANPC1ALDH1A1KMT2A
SCHEMBL8091625 0.74 NPC1 (0.45) SMN1; SMN2RAB9ANPC1ALDH1A1POLB
SCHEMBL8748105 0.69 KDM4E (0.48) SMN1; SMN2ALDH1A1POLBMAPTHPGD
SCHEMBL11314443 0.67 QPCT (0.47) SMN1; SMN2RAB9ANPC1ALDH1A1KMT2A
SCHEMBL24866430 0.65 KDM4E (0.51) SMN1; SMN2RAB9ANPC1ALDH1A1KMT2A
SCHEMBL8091500 0.64 NPC1 (0.45) SMN1; SMN2RAB9ANPC1ALDH1A1KMT2A
SCHEMBL8090129 0.64 ALDH1A1 (0.34) RAB9ANPC1ALDH1A1POLB

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-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 EP disclosed
EP-0792883-A1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-09-03 EP disclosed