SCHEMBL8885291

SCHEMBL8885291

COc1ccccc1CCNC(=S)Nc1nc(C(F)(F)F)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.48
LMNA P02545 2/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
MAPK1 P28482 1/20 0.43
GAA P10253 3/20 0.43
ALOX12 P18054 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL8891928 0.84 LMNA (0.42) RXFP1LMNAMAPK1ALOX12ALDH1A1
SCHEMBL6962348 0.81 RAB9A (0.51) LMNAMAPK1GAAALOX12CYP1A2
SCHEMBL8887575 0.81 LMNA (0.56) LMNAGAAALOX12ALDH1A1MEN1
SCHEMBL8892107 0.80 KMT2A (0.38) LMNAMAPK1GAAALOX12CYP1A2
SCHEMBL8886524 0.80 ALDH1A1 (0.48) LMNAGAACYP3A4ALDH1A1HPGD
SCHEMBL2379641 0.79 ROCK2 (0.50) MAPK1GAAALDH1A1HPGDROCK2
SCHEMBL6960096 0.77 SMN1; SMN2 (0.57) GAACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6953979 0.77 NPC1 (0.51) LMNAMTNR1AMTNR1BMAPK1GAA
SCHEMBL29350690 0.77 NPC1 (0.51) LMNAMTNR1AMTNR1BMAPK1GAA
SCHEMBL6958732 0.75 NPC1 (0.54) LMNAMTNR1AMTNR1BGAAALDH1A1

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
US-5658907-A THIOUREA VIRICIDES MEDIVIR A/B (SE) 1997-08-19 US disclosed
US-5593993-A VIRICIDES FOR HTLV TREATMENT OF AIDS MEDIVIR AB (SE) 1997-01-14 US disclosed