SCHEMBL9531484

SCHEMBL9531484

O=C(c1cn2c3c(sc2n1)CCCC3)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
MAPT P10636 4/20 0.48
TP53 P04637 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 2/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48
HDAC6 Q9UBN7 1/20 0.47
GAA P10253 2/20 0.44
NFKB1 P19838 1/20 0.44
GFER P55789 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
KDM4E B2RXH2 3/20 0.32
LMNA P02545 3/20 0.32
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL17620987 0.82 ALDH1A1 (0.56) ALDH1A1NPC1RAB9AMAPTTP53
SCHEMBL17620969 0.81 ALDH1A1 (0.55) ALDH1A1NPC1RAB9AMAPTTP53
SCHEMBL14491526 0.78 HDAC6 (0.50) ALDH1A1NPC1RAB9AMAPTTP53
SCHEMBL3601508 0.75 KDM4E (0.53) ALDH1A1NPC1RAB9AMAPTTP53
SCHEMBL17620686 0.74 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AMAPTTP53
SCHEMBL8402892 0.72 HDAC6 (0.64) ALDH1A1NPC1RAB9AMAPTTP53
SCHEMBL2928930 0.72 KDM4E (0.50) ALDH1A1NPC1RAB9AMAPTTP53
SCHEMBL3588603 0.71 MAPT (0.52) ALDH1A1NPC1RAB9AMAPTTP53
SCHEMBL16328022 0.69 HDAC6 (0.60) ALDH1A1NPC1RAB9AMAPTTP53
SCHEMBL13424021 0.68 HDAC6 (0.58) ALDH1A1NPC1RAB9AMAPTTP53

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-0313458-B1 IMIDAZO(2,1-B)BENZOTHIAZOLES AND THEIR ACID ADDITION SALTS, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-08-11 EP claimed
US-4895863-A MEMORY DISORDERS ROUSSEL UCLAF (FR) 1990-01-23 US claimed
US-4895863-A MEMORY DISORDERS ROUSSEL UCLAF (FR) 1990-01-23 US disclosed