SCHEMBL8358381

SCHEMBL8358381

O=C(N[C@@H]1CCCC2CCN2C1)c1n[nH]c2ccc(Br)cc12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 17/20 0.49
WNT1 P04628 10/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
USP30 Q70CQ3 1/20 0.46
GSK3B P49841 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
SCHEMBL14748042 1.00 DYRK1A (0.49) DYRK1AWNT1NPC1RAB9AUSP30
SCHEMBL8354506 0.92 NPC1 (0.49) DYRK1AWNT1NPC1RAB9AUSP30
SCHEMBL8357624 0.92 NPC1 (0.49) DYRK1AWNT1NPC1RAB9AUSP30
SCHEMBL12713559 0.87 DYRK1A (0.48) DYRK1AWNT1NPC1RAB9AUSP30
SCHEMBL8357618 0.85 NPC1 (0.69) DYRK1AWNT1NPC1RAB9AUSP30
SCHEMBL14748055 0.85 NPC1 (0.69) DYRK1AWNT1NPC1RAB9AUSP30
SCHEMBL8358755 0.85 DYRK1A (0.67) DYRK1AWNT1
SCHEMBL8358760 0.85 DYRK1A (0.67) DYRK1AWNT1
SCHEMBL12583369 0.83 DYRK1A (0.47) DYRK1AWNT1NPC1RAB9A
SCHEMBL12713661 0.82 DYRK1A (0.53) DYRK1AWNT1

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
EP-2305675-A1 Indazoles, Benzothiazoles, and Benzoisothiazoles, and preparation and uses thereof Memory Pharmaceuticals Corporation (US) 2011-04-06 EP disclosed
WO-2004029050-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2004-04-08 WO disclosed