SCHEMBL7684971

SCHEMBL7684971

Cc1ccc(Nc2nc(C)cc(C)n2)c(Br)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.67
ALDH1A1 P00352 3/20 0.67
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ADORA2A P29274 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.40
AHR P35869 1/20 0.40

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
SCHEMBL14940507 0.83 NFKB1 (0.53) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL1465687 0.80 RAB9A (0.49) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL7678043 0.80 MAPT (0.59) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL9048746 0.78 ALDH1A1 (0.56) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL11636386 0.71 ALDH1A1 (0.47) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL22628619 0.71 RAB9A (0.65) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL11564238 0.71 RAPGEF4 (0.61) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL22853792 0.71 LMNA (0.64) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL27889688 0.70 RAB9A (0.61) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL7683483 0.70 MAPT (0.47) MAPTALDH1A1KMT2AMEN1NPC1

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
US-6342503-B1 ANTIDEPRESSANTS, EATING DISORDERS DUPONT PHARMACEUTICALS COMPANY 2002-01-29 US disclosed
US-6107301-A PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-22 US disclosed
EP-0723533-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-31 EP disclosed
WO-1995010506-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-20 WO disclosed