SCHEMBL28299784

SCHEMBL28299784

Cc1cccc(-n2nnnc2-c2ccccc2)c1C

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.79
TSHR P16473 5/20 0.79
ALOX15 P16050 1/20 0.57
LMNA P02545 3/20 0.50
HSD17B10 Q99714 2/20 0.50
PTGS2 P35354 2/20 0.48
KCNN4 O15554 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MITF O75030 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL9395008 0.88 ALDH1A1 (1.00) ALDH1A1TSHRALOX15LMNAHSD17B10
Hydrochloric Acid SCHEMBL5471544 0.87 ALDH1A1 (0.97) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL10629073 0.77 ALDH1A1 (0.64) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL10635578 0.77 ALDH1A1 (0.69) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL1493484 0.77 ALDH1A1 (0.48) ALDH1A1TSHRALOX15LMNAKCNN4
SCHEMBL15542230 0.77 ALDH1A1 (0.68) ALDH1A1TSHRLMNAHSD17B10KCNN4
SCHEMBL28842637 0.77 ALDH1A1 (0.68) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL10632830 0.76 ALDH1A1 (0.67) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL27935867 0.76 ALDH1A1 (0.68) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL10632698 0.74 ALDH1A1 (0.63) ALDH1A1TSHRALOX15LMNAHSD17B10

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
CN-106029746-B Foamed material 索尔维特殊聚合物美国有限责任公司 2019-06-14 CN disclosed