SCHEMBL8904194

SCHEMBL8904194

CC(c1ccc(=O)[nH]n1)c1ccc(C(=O)c2ccc(Br)cc2)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.38
CDK2 P24941 3/20 0.38
CCNA1 P78396 3/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.36
AKR1B1 P15121 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ALDH1A1 P00352 2/20 0.31
HTT P42858 2/20 0.31
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL8905805 0.89 LMNA (0.38) LMNAAKR1B1MEN1KMT2ANPSR1
SCHEMBL8906156 0.88 ALDH1A1 (0.35) LMNAMAPTMEN1KMT2ARAB9A
SCHEMBL8905900 0.88 LMNA (0.37) LMNAMAPTAKR1B1MEN1KMT2A
SCHEMBL8905938 0.88 MEN1 (0.38) LMNAAKR1B1MEN1KMT2ANPSR1
SCHEMBL9030270 0.88 PDE3B (0.42) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL8904850 0.88 ALDH1A1 (0.40) LMNAAKR1B1MEN1KMT2AALDH1A1
SCHEMBL8904574 0.86 NPC1 (0.42) LMNAMEN1KMT2ARAB9AALDH1A1
SCHEMBL8904626 0.86 CYP1A2 (0.48) MEN1KMT2ANPSR1PDE3BPDE3A
SCHEMBL8905560 0.86 ALDH1A1 (0.46) LMNAMAPTAKR1B1MEN1KMT2A
SCHEMBL8904827 0.86 PDE3B (0.36) LMNAMAPTMEN1KMT2ARAB9A

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-5622948-A ANALGESICS SYNTEX (U.S.A.) INC. (US) 1997-04-22 US disclosed
EP-0714895-A1 Pyrrole derivatives F. Hoffmann-La Roche AG (CH) 1996-06-05 EP disclosed