SCHEMBL7680366

SCHEMBL7680366

Nc1ccc(NC(=S)NCCc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.56
MAPT P10636 9/20 0.48
MEN1 O00255 9/20 0.48
KMT2A Q03164 9/20 0.48
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 6/20 0.47
CDK1 P06493 1/20 0.47
NPC1 O15118 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
LMNA P02545 4/20 0.46
GAA P10253 4/20 0.46
MAPK1 P28482 1/20 0.46
ALOX12 P18054 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 3/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN11 Q06124 1/20 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
SCHEMBL7567733 0.89 CNR1 (0.45) CNR1MAPTMEN1KMT2ARAB9A
SCHEMBL7680361 0.85 CNR1 (0.58) CNR1MAPTMEN1KMT2ARAB9A
SCHEMBL7586533 0.84 MAPT (0.46) CNR1MAPTMEN1KMT2ARAB9A
SCHEMBL6819598 0.83 MAPT (0.62) CNR1MAPTMEN1KMT2ARAB9A
SCHEMBL26267849 0.81 CNR1 (0.49) CNR1MAPTALDH1A1MAOAMAOB
SCHEMBL7784439 0.80 CNR1 (0.55) CNR1MAPTMEN1KMT2ARAB9A
SCHEMBL7567744 0.80 SMN1; SMN2 (0.56) CNR1MAPTMEN1KMT2ARAB9A
SCHEMBL7565699 0.77 CNR1 (0.56) CNR1MAPTMEN1KMT2AALDH1A1
SCHEMBL7567824 0.77 MAPT (0.52) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL7571118 0.77 CDK1 (0.53) MAPTMEN1KMT2AALDH1A1CDK1

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-6407123-B1 VIRICIDES FOR TREATMENT OF HUMAN CYTOMEGALO, EPSTEIN-BARR, VARICELLA-ZOSTER AND KAPOSI*S HERPES VIRAL INFECTIONS AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US disclosed