SCHEMBL16306693

SCHEMBL16306693

O=C(c1nc2cc(Br)ccc2s1)N1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TUBB4A P04350 1/20 0.46
▸ TUBB P07437 1/20 0.46
▸ TUBA3C P0DPH7 1/20 0.46
▸ TUBA1B P68363 1/20 0.46
▸ TUBA4A P68366 1/20 0.46
▸ TUBB4B P68371 1/20 0.46
▸ TUBB3 Q13509 1/20 0.46
▸ TUBB2A Q13885 1/20 0.46
▸ TUBB8 Q3ZCM7 1/20 0.46
▸ TUBA3E Q6PEY2 1/20 0.46
▸ TUBA1A Q71U36 1/20 0.46
▸ TUBA1C Q9BQE3 1/20 0.46
▸ TUBB6 Q9BUF5 1/20 0.46
▸ TUBB2B Q9BVA1 1/20 0.46
▸ TUBB1 Q9H4B7 1/20 0.46
▸ DYRK1A Q13627 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PPARA Q07869 2/20 0.43

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
SCHEMBL12354084 0.85 HPGD (0.52) RAB9AHPGDDYRK1ASMN1; SMN2ALDH1A1
SCHEMBL28222855 0.81 SCN9A (0.48) RAB9AHPGDDYRK1ASMN1; SMN2RBP4
SCHEMBL14020936 0.76 TUBB4A (0.64) RAB9ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17109225 0.76 SMN1; SMN2 (0.59) RAB9AHPGDTUBB4ATUBBTUBA3C
SCHEMBL4156994 0.74 PPARA (0.57) RAB9ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28919886 0.74 DYRK1A (0.63) RAB9ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12353792 0.74 MAOA (0.52) RAB9AHPGDDYRK1ASMN1; SMN2ALDH1A1
SCHEMBL22479064 0.73 TUBB4A (0.54) RAB9ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17092665 0.72 RBP4 (0.43) HPGDDYRK1ASMN1; SMN2ALDH1A1TSHR
SCHEMBL16306773 0.70 MAOB (0.43) RAB9AHPGDSMN1; SMN2ALDH1A1TSHR

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
WO-2014199933-A1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND アステラス製薬株式会社 (JP) 2014-12-18 — — WO disclosed
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