SCHEMBL7922082

SCHEMBL7922082

Cc1nc2cc(OB(Oc3ccc4oc(C)nc4c3)Oc3ccc4oc(C)nc4c3)ccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.50
GAA P10253 2/20 0.50
RAB9A P51151 5/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
STAT1 P42224 1/20 0.42
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
TAS1R3 Q7RTX0 3/20 0.40
TAS1R1 Q7RTX1 3/20 0.40
HSD17B10 Q99714 5/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
NFKB1 P19838 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
SCHEMBL7922085 0.87 RAB9A (0.49) L3MBTL1GAARAB9ALMNASMN1; SMN2
SCHEMBL5228689 0.82 RAB9A (0.61) L3MBTL1GAARAB9ALMNASMN1; SMN2
SCHEMBL29447082 0.82 RAB9A (0.61) L3MBTL1GAARAB9ALMNASMN1; SMN2
SCHEMBL14806553 0.78 L3MBTL1 (0.49) L3MBTL1GAARAB9ALMNASMN1; SMN2
SCHEMBL11116315 0.77 L3MBTL1 (0.59) L3MBTL1GAARAB9ALMNASMN1; SMN2
SCHEMBL31731398 0.77 RAB9A (0.49) L3MBTL1GAARAB9ALMNASMN1; SMN2
SCHEMBL12778688 0.77 RAB9A (0.49) L3MBTL1GAARAB9ALMNASMN1; SMN2
SCHEMBL19756735 0.77 RAB9A (0.49) L3MBTL1GAARAB9ALMNASMN1; SMN2
SCHEMBL9202106 0.76 RAB9A (0.59) L3MBTL1GAARAB9ALMNASMN1; SMN2
SCHEMBL6629605 0.76 RAB9A (0.54) L3MBTL1GAARAB9ALMNASMN1; 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