SCHEMBL4060427

SCHEMBL4060427

Clc1cccc(-c2cc(CBr)no2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.50
NPC1 O15118 6/20 0.50
TP53 P04637 3/20 0.49
THRB P10828 1/20 0.49
NOTUM Q6P988 2/20 0.47
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL27591767 0.88 RAB9A (0.48) RAB9ANPC1TP53THRBNOTUM
SCHEMBL1544808 0.84 NOTUM (0.69) RAB9ANPC1TP53THRBNOTUM
SCHEMBL4060532 0.81 NOTUM (0.70) RAB9ANPC1TP53NOTUMALDH1A1
SCHEMBL1844414 0.81 NOTUM (0.53) RAB9ANPC1TP53THRBNOTUM
SCHEMBL2538472 0.81 NOTUM (0.68) RAB9ANPC1NOTUMALDH1A1TDP1
SCHEMBL1545508 0.80 SOS1 (0.58) RAB9ANPC1TP53THRBALDH1A1
SCHEMBL2489301 0.80 RAB9A (0.50) RAB9ANPC1TP53THRBNOTUM
SCHEMBL2537431 0.79 MAPT (0.59) RAB9ANPC1NOTUMALDH1A1TDP1
SCHEMBL2904235 0.78 TP53 (0.47) RAB9ANPC1TP53THRBALDH1A1
SCHEMBL2896502 0.78 TP53 (0.50) RAB9ANPC1TP53THRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1208097-B1 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMA INC (US) 2009-02-18 EP disclosed
EP-1208097-B1 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMA INC (US) 2009-02-18 EP disclosed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO disclosed