SCHEMBL6958863

SCHEMBL6958863

Cc1cc2nc(NC(=S)NCCc3ccccc3)sc2cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
LMNA P02545 4/20 0.53
ALOX12 P18054 3/20 0.53
HPGD P15428 2/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
RAB9A P51151 6/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 3/20 0.49
PKM P14618 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 2/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
ACP1 P24666 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47

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
SCHEMBL6951823 0.84 RAB9A (0.64) ALDH1A1SMN1; SMN2LMNAALOX12HPGD
SCHEMBL8893941 0.82 MAPT (0.65) ALDH1A1SMN1; SMN2LMNAHPGDMAPT
SCHEMBL8891868 0.81 MAPT (0.81) ALDH1A1SMN1; SMN2HPGDMAPTRAB9A
SCHEMBL6964080 0.80 SCD (0.54) ALDH1A1SMN1; SMN2LMNAALOX12HPGD
SCHEMBL8892058 0.79 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2LMNAALOX12HPGD
SCHEMBL9988695 0.78 ACP1 (0.48) ALDH1A1SMN1; SMN2LMNAHPGDMAPT
SCHEMBL6962564 0.75 MAPT (0.67) ALDH1A1SMN1; SMN2LMNAALOX12MAPT
SCHEMBL6959560 0.75 MAPT (0.51) ALDH1A1SMN1; SMN2LMNAALOX12MAPT
SCHEMBL6963487 0.75 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNAALOX12HPGD
SCHEMBL6958936 0.75 LMNA (0.57) ALDH1A1SMN1; SMN2LMNAALOX12HPGD

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-0540143-B1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2003-02-05 EP disclosed
US-5593993-A VIRICIDES FOR HTLV TREATMENT OF AIDS MEDIVIR AB (SE) 1997-01-14 US disclosed