SCHEMBL6646471

SCHEMBL6646471

O=C(Nc1ccccn1)c1cccnc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.70
▸ NPC1 O15118 4/20 0.70
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ TSHR P16473 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ MAPK8 P45983 1/20 0.60
▸ MAPK10 P53779 1/20 0.60
▸ ROCK2 O75116 1/20 0.59
▸ ROCK1 Q13464 1/20 0.59
▸ HDAC1 Q13547 2/20 0.57
▸ HDAC3 O15379 1/20 0.57
▸ HDAC2 Q92769 1/20 0.57
▸ KCNK3 O14649 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ HDAC6 Q9UBN7 1/20 0.57
▸ PKM P14618 2/20 0.56
▸ F2 P00734 1/20 0.56

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
SCHEMBL31414959 1.00 RAB9A (0.70) RAB9ANPC1SMN1; SMN2TSHRLMNA
SCHEMBL23406055 0.86 SMN1; SMN2 (0.65) RAB9ANPC1SMN1; SMN2LMNAHIF1A
SCHEMBL6642201 0.85 KMT2A (0.67) RAB9ANPC1SMN1; SMN2TSHRLMNA
SCHEMBL3408514 0.85 RAB9A (0.72) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL997866 0.84 RAB9A (0.89) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL29366822 0.84 RAB9A (0.89) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL5359661 0.84 GAA (0.66) RAB9ANPC1SMN1; SMN2TSHRLMNA
SCHEMBL7189774 0.83 RAB9A (0.86) RAB9ANPC1SMN1; SMN2LMNAMEN1
Hydrochloric Acid SCHEMBL27681799 0.83 RAB9A (0.86) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL23406080 0.83 SMN1; SMN2 (0.58) RAB9ANPC1SMN1; SMN2LMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016102969-A1 INHIBITION OF HAIR GROWTH THE UNIVERSITY OF MANCHESTER (GB) 2016-06-30 — — WO claimed
EP-1453831-A1 1H-PYRROLO(3,2-B)PYRIDINE-3-CARBOXYLIC ACID AMIDES Neurogen Corporation (US) 2004-09-08 — — EP claimed
WO-2003044018-A1 1H-PYRROLO[3,2-B]PYRIDINE-3-CARBOXYLIC ACID AMIDES NEUROGEN CORPORATION (US) 2003-05-30 — — WO claimed
JP-57131719-A — — None — — JP disclosed
WO-2016102969-A1 INHIBITION OF HAIR GROWTH THE UNIVERSITY OF MANCHESTER (GB) 2016-06-30 — — WO disclosed
WO-2013059582-A2 SMALL MOLECULE INHIBITORS OF HISTONE DEACTEYLASES NUPOTENTIAL, INC. (US) 2013-04-25 — — WO disclosed
EP-1453831-A1 1H-PYRROLO(3,2-B)PYRIDINE-3-CARBOXYLIC ACID AMIDES Neurogen Corporation (US) 2004-09-08 — — EP disclosed
WO-2003044018-A1 1H-PYRROLO[3,2-B]PYRIDINE-3-CARBOXYLIC ACID AMIDES NEUROGEN CORPORATION (US) 2003-05-30 — — WO disclosed
EP-0083378-A1 Tetrahydronicotinamide derivatives, a process for producing the same and a pharmaceutical composition comprising the same Chugai Seiyaku Kabushiki Kaisha (JP) 1983-07-13 — — EP disclosed
US-4361572-A Tetrahydronicotinamide derivative, pharmaceutical compositions and use CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1982-11-30 — — US disclosed
JP-S57131719-A BLOOD SUGAR LEVEL LOWERING AGENT CHUGAI PHARMACEUT CO LTD 1982-08-14 — — JP disclosed
Send feedback