SCHEMBL7922085

SCHEMBL7922085

Cc1nc2cc(OB(O)O)ccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 3/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
STAT1 P42224 1/20 0.43
TAS1R3 Q7RTX0 3/20 0.41
TAS1R1 Q7RTX1 3/20 0.41
HSD17B10 Q99714 3/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
ACACB O00763 1/20 0.37
DRD2 P14416 1/20 0.36
TP53 P04637 2/20 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
SCHEMBL7922082 0.87 L3MBTL1 (0.50) RAB9ALMNAL3MBTL1GAASMN1; SMN2
SCHEMBL27913347 0.81 LMNA (0.51) RAB9ALMNANPC1MAPTHSD17B10
SCHEMBL5228689 0.80 RAB9A (0.61) RAB9ALMNAL3MBTL1GAASMN1; SMN2
SCHEMBL29447082 0.80 RAB9A (0.61) RAB9ALMNAL3MBTL1GAASMN1; SMN2
SCHEMBL12778688 0.77 RAB9A (0.49) RAB9ALMNAL3MBTL1GAASMN1; SMN2
SCHEMBL9202106 0.77 RAB9A (0.59) RAB9ALMNAL3MBTL1GAASMN1; SMN2
SCHEMBL6629605 0.76 RAB9A (0.54) RAB9ALMNAL3MBTL1GAASMN1; SMN2
SCHEMBL15445621 0.76 L3MBTL1 (0.53) RAB9ALMNAL3MBTL1GAASMN1; SMN2
SCHEMBL29952498 0.76 L3MBTL1 (0.53) RAB9ALMNAL3MBTL1GAASMN1; SMN2
SCHEMBL14806553 0.75 L3MBTL1 (0.49) RAB9ALMNAL3MBTL1GAASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140896-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 Takeda Chemical Industries, Ltd. (JP) 2001-10-10 EP disclosed
US-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
WO-2000037455-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-06-29 WO disclosed