SCHEMBL14123147

SCHEMBL14123147

O=c1cc(Cc2ccccn2)[nH]c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
HRH3 Q9Y5N1 2/20 0.47
HRH4 Q9H3N8 1/20 0.47
TSHR P16473 1/20 0.47
NR3C1 P04150 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALOX15 P16050 1/20 0.40
YTHDC1 Q96MU7 1/20 0.40
PNP P00491 1/20 0.39
TYMP P19971 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DAO P14920 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
SCHEMBL14123256 0.84 SMN1; SMN2 (0.60) ALDH1A1HRH3HRH4TSHRKDM4E
SCHEMBL6612453 0.78 HRH4 (0.42) ALDH1A1HRH3HRH4TSHRKDM4E
SCHEMBL1287276 0.74 SMN1; SMN2 (0.69) ALDH1A1SMN1; SMN2YTHDC1TYMPDAO
SCHEMBL14426632 0.74 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL11225248 0.72 IDO1 (0.55) HRH3HRH4
Dimethylamine SCHEMBL27691701 0.70 SMN1; SMN2 (0.63) ALDH1A1SMN1; SMN2YTHDC1TYMPDAO
SCHEMBL14123282 0.70 HRH4 (0.51) ALDH1A1HRH3HRH4SMN1; SMN2YTHDC1
SCHEMBL29830938 0.70 L3MBTL1 (0.59) ALDH1A1HRH3HRH4TSHRMAPT
SCHEMBL41191 0.70 L3MBTL1 (0.59) ALDH1A1HRH3HRH4TSHRMAPT
SCHEMBL27196408 0.68 KDM4E (0.54) ALDH1A1KDM4ESMN1; SMN2LMNAALOX15

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-20080160445-A1 Planographic printing plate material, and method of preparing planographic printing plate employing the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-07-03 US disclosed
US-20080160445-A1 Planographic printing plate material, and method of preparing planographic printing plate employing the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-07-03 US disclosed