SCHEMBL8900626

SCHEMBL8900626

COc1ccc(C(=C(c2ccccc2)c2ccccn2)c2ccc(OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.58
NPC1 O15118 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
PKM P14618 3/20 0.58
CDK5 Q00535 2/20 0.58
PAX8 Q06710 2/20 0.58
CDK5R1 Q15078 2/20 0.58
HPGD P15428 1/20 0.58
MAPT P10636 6/20 0.56
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
F2 P00734 1/20 0.49

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
SCHEMBL18983075 0.84 KMT2A (0.61) RAB9ANPC1SMN1; SMN2PKMCDK5
SCHEMBL68051 0.82 CES2 (0.69) RAB9ANPC1SMN1; SMN2PKMCDK5
SCHEMBL9723456 0.82 CES2 (0.69) RAB9ANPC1SMN1; SMN2PKMCDK5
SCHEMBL68050 0.82 CES2 (0.69) RAB9ANPC1SMN1; SMN2PKMCDK5
SCHEMBL30741457 0.82 CES2 (0.69) RAB9ANPC1SMN1; SMN2PKMCDK5
SCHEMBL18983080 0.80 KMT2A (0.61) RAB9ANPC1SMN1; SMN2PKMCDK5
SCHEMBL18983077 0.80 KMT2A (0.61) RAB9ANPC1SMN1; SMN2PKMCDK5
SCHEMBL3870748 0.80 RAB9A (0.61) RAB9ANPC1SMN1; SMN2PKMCDK5
SCHEMBL29289270 0.79 RAB9A (0.60) RAB9ANPC1SMN1; SMN2PKMCDK5
SCHEMBL3347086 0.79 RAB9A (0.68) RAB9ANPC1SMN1; SMN2PKMCDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0624090-B1 REVERSAL OF MULTI-DRUG RESISTANCE BY TETRAARYLETHYLENES MERRELL PHARMA INC (US) 1996-09-18 EP claimed
US-5523304-A Reversal of multi-drug resistance by tetraarylethylenes MERRELL PHARMACEUTICALS INC. (US) 1996-06-04 US claimed
EP-0624090-A1 REVERSAL OF MULTI-DRUG RESISTANCE BY TETRAARYLETHYLENES. MERRELL DOW PHARMA (US) 1994-11-17 EP claimed
WO-1993015733-A1 REVERSAL OF MULTI-DRUG RESISTANCE BY TETRAARYLETHYLENES MERRELL DOW PHARMACEUTICALS INC. (US) 1993-08-19 WO claimed
US-5665780-A DEACTIVATING P-GLYCOPROTEIN PUMP IN TUMORS; CANCER TREATMENT MERRELL PHARMACEUTICALS INC. (US) 1997-09-09 US disclosed
EP-0624090-B1 REVERSAL OF MULTI-DRUG RESISTANCE BY TETRAARYLETHYLENES MERRELL PHARMA INC (US) 1996-09-18 EP disclosed
US-5523304-A Reversal of multi-drug resistance by tetraarylethylenes MERRELL PHARMACEUTICALS INC. (US) 1996-06-04 US disclosed