SCHEMBL9681078

SCHEMBL9681078

CCOC(=O)Nc1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
HPGD P15428 3/20 0.56
RAB9A P51151 3/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.52
PDE3B Q13370 1/20 0.52
PDE3A Q14432 1/20 0.52
BCL2 P10415 1/20 0.52
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 1/20 0.51
LMNA P02545 1/20 0.51
RECQL P46063 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50

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 0.95 HPGD (0.61) NPC1HPGDRAB9ACRHBPCRHR2
SCHEMBL9681015 0.86 NPSR1 (0.58) NPC1HPGDRAB9ACRHBPCRHR2
SCHEMBL7565510 0.86 RAB9A (0.71) NPC1HPGDRAB9ACRHBPCRHR2
SCHEMBL11079563 0.85 RAB9A (0.71) NPC1HPGDRAB9ACRHBPCRHR2
SCHEMBL11135046 0.83 RAB9A (0.50) NPC1HPGDRAB9ACRHBPCRHR2
SCHEMBL5865879 0.81 SMN1; SMN2 (0.67) NPC1HPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL11444456 0.81 RAB9A (0.48) NPC1HPGDRAB9ACRHBPCRHR2
SCHEMBL7565512 0.80 RAB9A (0.70) NPC1HPGDRAB9ACRHBPCRHR2
SCHEMBL9146676 0.80 LMNA (0.68) NPC1HPGDRAB9ACRHBPCRHR2
SCHEMBL11790359 0.80 RAB9A (0.65) NPC1HPGDRAB9ACRHBPCRHR2

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