SCHEMBL6957231

SCHEMBL6957231

CCOc1cccc(F)c1CCNC(=S)Nc1ncc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 4/20 0.42
GAA P10253 5/20 0.38
HTT P42858 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35

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
SCHEMBL6962193 0.91 GAA (0.44) KMT2APKMMAPK1ALDH1A1GAA
SCHEMBL6954353 0.88 RAB9A (0.42) KMT2AALDH1A1HTTMAPTMEN1
SCHEMBL6950698 0.88 KMT2A (0.42) KMT2APKMMAPK1ALDH1A1GAA
SCHEMBL6952393 0.83 MAPK1 (0.50) KMT2APKMMAPK1ALDH1A1GAA
SCHEMBL6955439 0.83 CNR1 (0.46) KMT2AMAPK1MAPTLMNASMN1; SMN2
SCHEMBL6962622 0.82 GAA (0.45) KMT2AMAPK1ALDH1A1GAAHTT
SCHEMBL6956805 0.82 SMN1; SMN2 (0.50) KMT2APKMMAPK1ALDH1A1GAA
SCHEMBL6964940 0.82 KMT2A (0.37) KMT2APKMMAPK1GAAMAPT
SCHEMBL6963213 0.81 ALDH1A1 (0.55) KMT2APKMMAPK1ALDH1A1GAA
SCHEMBL6965853 0.80 KMT2A (0.41) KMT2AALDH1A1GAAHTTMAPT

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