SCHEMBL5748461

SCHEMBL5748461

O=Cc1ccc2[c]ccnc2c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 4/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGS2 P35354 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 1/20 0.32
FDPS P14324 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.31
TTK P33981 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP2A6 P11509 4/20 0.30

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
SCHEMBL5748480 0.86 ALDH1A1 (0.34) ALDH1A1KDM4ELMNASMN1; SMN2PTGS2
SCHEMBL217998 0.73 NR4A2 (0.47) HSD17B10TDP1MAPTMEN1KMT2A
SCHEMBL97820 0.72 RAB9A (0.49) ALDH1A1KDM4ELMNASMN1; SMN2PTGS2
SCHEMBL4471481 0.72 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1496286 0.72 HTT (0.46)
SCHEMBL855089 0.72 FERMT2 (0.35) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL5749576 0.69 FGFR1 (0.39) SMN1; SMN2TSHRKMT2A
SCHEMBL5746853 0.68 NOS3 (0.39) ALDH1A1KDM4ELMNASMN1; SMN2RAB9A
SCHEMBL660837 0.68 HTR1A (0.43) ALDH1A1KDM4ELMNASMN1; SMN2RAB9A
SCHEMBL28843537 0.68 ALDH1A1 (0.34) ALDH1A1

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