SCHEMBL8355374

SCHEMBL8355374

c1ccc2c(c1)nc1n2CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.46
BCHE P06276 1/20 0.46
CFTR P13569 1/20 0.46
ALOX15 P16050 1/20 0.46
ACHE P22303 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GOPC Q9HD26 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL503163 0.88 ALDH1A1 (0.60) GRM2TSHRMEN1KMT2AALDH1A1
SCHEMBL840083 0.86 MEN1 (0.59) GRM2TSHRMEN1KMT2AALDH1A1
SCHEMBL10830714 0.85 MEN1 (0.62) MEN1KMT2AALDH1A1L3MBTL1KDM4E
Hydrochloric Acid SCHEMBL11644774 0.83 MEN1 (0.60) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL11427510 0.82 HTR2C (0.51) GRM2TSHRALDH1A1KDM4EUSP2
SCHEMBL18781841 0.82 GRM2 (0.43) GRM2TSHRALDH1A1HTT
SCHEMBL18781845 0.78 ALDH1A1 (0.43) GRM2TSHRMEN1KMT2AALDH1A1
SCHEMBL11639236 0.76 OGFRL1 (0.41) GRM2TSHRMEN1KMT2AALDH1A1
SCHEMBL839815 0.76 HTR2A (0.50) GRM2TSHRMEN1KMT2AHTT
SCHEMBL839535 0.76 TP53 (0.54) GRM2TSHRALDH1A1USP2

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
JP-11106610-A None JP disclosed
JP-H11106610-A EPOXY RESIN COMPOSITION SHIKOKU CHEM CORP 1999-04-20 JP disclosed