SCHEMBL8892497

SCHEMBL8892497

S=C(NCCc1ccccc1)Nc1nnn[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.57
NPC1 O15118 4/20 0.57
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
ALDH1A1 P00352 11/20 0.57
SMN1; SMN2 Q16637 8/20 0.57
ALOX12 P18054 2/20 0.57
MAPK1 P28482 3/20 0.55
KDM4E B2RXH2 3/20 0.55
BCL6 P41182 1/20 0.54
LMNA P02545 7/20 0.52
MAPT P10636 5/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
GAA P10253 2/20 0.52
TAAR1 Q96RJ0 2/20 0.51
PTPN7 P35236 1/20 0.51
DUSP3 P51452 1/20 0.51
PTPN5 P54829 1/20 0.51
PTPN11 Q06124 1/20 0.51

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
SCHEMBL6960260 0.78 RAB9A (0.60) RAB9ANPC1MAOAMAOBALDH1A1
Hydrochloric Acid SCHEMBL6791179 0.76 L3MBTL1 (0.50) RAB9ANPC1MAOAMAOBALDH1A1
SCHEMBL6961902 0.75 RAB9A (0.73) RAB9ANPC1MAOAMAOBALDH1A1
SCHEMBL6524477 0.75 RAB9A (1.00) RAB9ANPC1MAOAMAOBALDH1A1
SCHEMBL1520437 0.74 RAB9A (1.00) RAB9ANPC1MAOAMAOBALDH1A1
SCHEMBL2528923 0.74 ALDH1A1 (0.54) ALDH1A1MAPK1MAPTKMT2AMEN1
SCHEMBL6959672 0.74 RAB9A (0.79) RAB9ANPC1MAOAMAOBALDH1A1
SCHEMBL6956095 0.73 ALDH1A1 (0.60) RAB9ANPC1MAOAMAOBALDH1A1
SCHEMBL29352156 0.72 ALDH1A1 (1.00) RAB9ANPC1MAOAMAOBALDH1A1
SCHEMBL6952754 0.72 ALDH1A1 (1.00) RAB9ANPC1MAOAMAOBALDH1A1

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
US-5593993-A VIRICIDES FOR HTLV TREATMENT OF AIDS MEDIVIR AB (SE) 1997-01-14 US disclosed