SCHEMBL8104147

SCHEMBL8104147

NC(=O)Nc1ccc(Br)cn1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.58
NPC1 O15118 11/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
RXFP1 Q9HBX9 1/20 0.58
TSHR P16473 1/20 0.58
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
CASP3 P42574 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 1/20 0.51

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
SCHEMBL1067851 0.82 TSHR (0.65) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL356367 0.81 PTK2 (0.62) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL29883001 0.81 PTK2 (0.62) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL2659431 0.81 ALDH1A1 (0.58) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL29557123 0.81 RAB9A (0.50) RAB9ANPC1MEN1KMT2ARXFP1
Ammonia Solution, Strong SCHEMBL27883856 0.79 PTK2 (0.61) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL1504119 0.79 TSHR (0.61) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL28015608 0.79 NPC1 (0.49) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL9413742 0.78 ALDH1A1 (0.53) RAB9ANPC1MEN1KMT2AALDH1A1
Lithium SCHEMBL208951 0.78 TSHR (0.59) RAB9ANPC1MEN1KMT2ARXFP1

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
CN-1292781-A Antiviral medicine MEDIVIR AB (SE) 2001-04-25 CN claimed
WO-2016112236-A1 CYCLIC UREAS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-14 WO disclosed
EP-1054867-A1 ANTIVIRALS MEDIVIR AB (SE) 2000-11-29 EP disclosed
WO-1999036406-A1 ANTIVIRALS MEDIVIR AB (SE) 1999-07-22 WO disclosed
EP-0706514-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1996-04-17 EP disclosed
WO-1995006034-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1995-03-02 WO disclosed