SCHEMBL9681015

SCHEMBL9681015

CCOC(=O)Nc1ccc(C=Cc2ccc(Br)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.58
MAPT P10636 3/20 0.58
RAB9A P51151 3/20 0.58
HPGD P15428 4/20 0.52
NPC1 O15118 2/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
LMNA P02545 3/20 0.51
S1PR4 O95977 1/20 0.51
S1PR1 P21453 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL1187780 0.91 HPGD (0.61) MAPTRAB9AHPGDNPC1CRHBP
SCHEMBL9681078 0.86 NPC1 (0.56) MAPTRAB9AHPGDNPC1CRHBP
SCHEMBL7565510 0.82 RAB9A (0.71) NPSR1MAPTRAB9AHPGDNPC1
SCHEMBL6004359 0.81 RAB9A (0.58) NPSR1MAPTRAB9AHPGDNPC1
SCHEMBL11135046 0.79 RAB9A (0.50) NPSR1MAPTRAB9AHPGDNPC1
SCHEMBL5865879 0.78 SMN1; SMN2 (0.67) MAPTRAB9AHPGDNPC1MEN1
SCHEMBL11444456 0.77 RAB9A (0.48) NPSR1MAPTRAB9AHPGDNPC1
SCHEMBL19331876 0.77 RAB9A (0.51) NPSR1MAPTRAB9AHPGDNPC1
SCHEMBL9342637 0.77 MAPT (0.66) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL9146676 0.77 LMNA (0.68) NPSR1MAPTRAB9AHPGDNPC1

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
US-5136013-A Polyesters BAYER AKTIENGESELLSCHAFT (DE) 1992-08-04 US disclosed
US-5068300-A BIFUNCTIONAL STILBENE COMPOUNDS CONTAINING AT LEAST ONE Z-CONFIGURATED STILBENE GROUP, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF POLYMERS BAYER AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed