SCHEMBL6950698

SCHEMBL6950698

CCOc1ccc(F)c(CCNC(=S)Nc2ncc[nH]2)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.39
F2RL1 P55085 3/20 0.36
ALDH1A1 P00352 3/20 0.35
PTGES O14684 4/20 0.34
MEN1 O00255 3/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 3/20 0.34
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33

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
SCHEMBL6965853 0.91 KMT2A (0.41) KMT2AALDH1A1MEN1CYP1A2POLB
SCHEMBL6957231 0.88 KMT2A (0.47) KMT2APKMMAPK1ALDH1A1PTGES
SCHEMBL6964940 0.82 KMT2A (0.37) KMT2APKMMAPK1PTGESMEN1
SCHEMBL6952902 0.81 SMN1; SMN2 (0.52) KMT2APKMMAPK1ALDH1A1MEN1
SCHEMBL6954353 0.81 RAB9A (0.42) KMT2AALDH1A1PTGESMEN1CYP1A2
SCHEMBL6954180 0.81 PTGES (0.38) KMT2AF2RL1ALDH1A1PTGESMEN1
SCHEMBL6959599 0.80 ALDH1A1 (0.54) KMT2APKMMAPK1ALDH1A1MEN1
SCHEMBL6962193 0.80 GAA (0.44) KMT2APKMMAPK1ALDH1A1MEN1
SCHEMBL6964401 0.79 ALDH1A1 (0.46) KMT2APKMMAPK1ALDH1A1MEN1
SCHEMBL6952393 0.78 MAPK1 (0.50) KMT2APKMMAPK1ALDH1A1MEN1

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