SCHEMBL6958394

SCHEMBL6958394

S=C(NCCc1cc(Cl)cc(Cl)c1)Nc1nc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 4/20 0.56
MAPT P10636 9/20 0.53
ALDH1A1 P00352 8/20 0.53
LMNA P02545 4/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
GAA P10253 1/20 0.50
NPC1 O15118 9/20 0.49
RAB9A P51151 9/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
NPSR1 Q6W5P4 3/20 0.49
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
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
SCHEMBL6963623 0.91 CSNK1D (0.66) CSNK1DMAPTALDH1A1LMNACYP1A2
SCHEMBL6962564 0.89 MAPT (0.67) CSNK1DMAPTALDH1A1LMNACYP1A2
SCHEMBL6951823 0.87 RAB9A (0.64) CSNK1DMAPTALDH1A1LMNACYP1A2
SCHEMBL6961895 0.84 DHODH (0.48) CSNK1DMAPTALDH1A1LMNACYP1A2
SCHEMBL6955046 0.84 ALDH1A1 (0.50) CSNK1DMAPTALDH1A1LMNACYP1A2
SCHEMBL6953441 0.82 ALDH1A1 (0.51) CSNK1DMAPTALDH1A1LMNACYP1A2
SCHEMBL6959138 0.82 RAB9A (0.56) CSNK1DMAPTALDH1A1LMNACYP1A2
SCHEMBL6963867 0.82 ALDH1A1 (0.54) CSNK1DMAPTALDH1A1LMNAGAA
SCHEMBL6964080 0.82 SCD (0.54) CSNK1DMAPTALDH1A1LMNACYP1A2
SCHEMBL6959480 0.81 MAPT (0.55) CSNK1DMAPTALDH1A1LMNAGAA

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 6 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-5714503-A Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 1998-02-03 US disclosed
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
EP-0540143-A2 Compounds and methods for inhibition of HIV and related viruses Medivir Aktiebolag (SE) 1993-05-05 EP disclosed
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 WO disclosed