SCHEMBL9738641

SCHEMBL9738641

CC1(C)Oc2ccc(Br)cc2C(Oc2cc[nH]c(=O)c2)=C1CO

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.33
ABL1 P00519 1/20 0.33
PPARG P37231 1/20 0.33
RIN1 Q13671 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
CHEK1 O14757 1/20 0.31
NPSR1 Q6W5P4 3/20 0.31
PTGES O14684 1/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL9737886 0.86 TLK2 (0.32) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL9739750 0.85 BRD4 (0.35) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL9737102 0.84 CNR2 (0.37) NPSR1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL9732959 0.82 NSD2 (0.31) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL9735940 0.78 KDM4E (0.34) NPSR1PTGESMEN1KMT2AKDM4E
SCHEMBL9734747 0.78 NSD2 (0.32) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL9737040 0.72 NPSR1 (0.30) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL9732950 0.67 PDPK1 (0.33)
SCHEMBL9147909 0.67 NR1H4 (0.33) NPSR1KDM4EMAPT
SCHEMBL9736448 0.65 ALOX5 (0.35) NPSR1MEN1KMT2ASMN1; SMN2KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5143924-A OXODIHYDROPYRIDYL CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-09-01 US disclosed