SCHEMBL8891452

SCHEMBL8891452

S=C(NCCc1ccccc1)Nc1nc[nH]n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.57
NPC1 O15118 3/20 0.57
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
ALDH1A1 P00352 7/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
ALOX12 P18054 4/20 0.57
LMNA P02545 4/20 0.55
KMT2A Q03164 4/20 0.55
PKM P14618 1/20 0.55
GAA P10253 3/20 0.55
TAAR1 Q96RJ0 2/20 0.55
QPCT Q16769 1/20 0.53
MAPK1 P28482 4/20 0.52
MEN1 O00255 3/20 0.52
MAPT P10636 3/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 3/20 0.51
CYP2D6 P10635 3/20 0.51
CYP2C19 P33261 3/20 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
SCHEMBL6961902 0.81 RAB9A (0.73) RAB9ANPC1MAOAMAOBALDH1A1
SCHEMBL9790415 0.77 HDAC3 (0.50) ALDH1A1SMN1; SMN2LMNAKMT2AGAA
SCHEMBL6957743 0.76 RAB9A (0.62) RAB9ANPC1MAOAMAOBALDH1A1
SCHEMBL6905303 0.76 ALDH1A1 (0.71) RAB9ANPC1MAOAMAOBALDH1A1
SCHEMBL7703356 0.75 RAB9A (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL9792948 0.75 ALDH1A1 (0.33) RAB9ANPC1ALDH1A1LMNAGAA
SCHEMBL6524477 0.75 RAB9A (1.00) RAB9ANPC1MAOAMAOBALDH1A1
SCHEMBL3688529 0.74 ADORA3 (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL1520437 0.74 RAB9A (1.00) RAB9ANPC1MAOAMAOBALDH1A1
SCHEMBL13934555 0.74 EPHX2 (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A

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