SCHEMBL5750459

SCHEMBL5750459

CCc1cccc2cc3c(N)cccc3cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.47
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
CYP3A4 P08684 3/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KEAP1 Q14145 1/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
PTBP1 P26599 1/20 0.43
RAB9A P51151 1/20 0.43
RCE1 Q9Y256 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.42
TDP2 O95551 1/20 0.42

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
SCHEMBL5749223 0.94 PARP1 (0.46) PARP1ALDH1A1HPGDCYP3A4TSHR
SCHEMBL498622 0.82 ALDH1A1 (0.46) ALDH1A1HSD17B10KDM4EGAAMAPT
SCHEMBL13716722 0.81 PARP1 (0.45) PARP1ALDH1A1HPGDCYP3A4TSHR
SCHEMBL29351158 0.81 ALDH1A1 (0.62) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL5545202 0.81 ALDH1A1 (0.62) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL31158567 0.80 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EGAAMAPT
SCHEMBL5747866 0.80 TLR8 (0.52) PARP1ALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL5747159 0.80 TLR8 (0.52) PARP1ALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL5746387 0.80 TLR8 (0.52) PARP1ALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL5749089 0.79 ALDH1A1 (0.59) PARP1ALDH1A1HPGDCYP3A4TSHR

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-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed