SCHEMBL4687946

SCHEMBL4687946

Cc1nnc(N)nc1C.O=c1ccc(O)nn1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.43
ALDH1A1 P00352 5/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KMT2A Q03164 4/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 3/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.40
FHIT P49789 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL322662 0.80 HTT (0.54) ALDH1A1NPSR1KMT2AHTTMAPT
SCHEMBL16474745 0.67 MAPK1 (0.52) ALDH1A1NPSR1KMT2AHTTMAPT
SCHEMBL30203444 0.65 KMT2A (0.56) ALDH1A1NPSR1KMT2AHTTMAPT
SCHEMBL924712 0.65 RPA1 (0.56) ALDH1A1NPSR1KMT2AHTTMAPT
SCHEMBL13219368 0.64 ALDH1A1 (0.58) ALDH1A1NPSR1KMT2AHTTMAPT
SCHEMBL29652158 0.64
SCHEMBL324446 0.64
SCHEMBL13736330 0.64 CYP1A2 (0.61) RCE1ALDH1A1KMT2AMAPTTSHR
SCHEMBL25078205 0.62 SMN1; SMN2 (0.57) ALDH1A1NPSR1KMT2AHTTMAPT
SCHEMBL16503964 0.62 SMN1; SMN2 (0.68) RCE1ALDH1A1NPSR1HTTMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1693048-B1 Shampoo containing hollow particles PROCTER & GAMBLE (US) 2008-05-28 EP disclosed