SCHEMBL9730248

SCHEMBL9730248

CC(C)=CCCC(C)=CCn1c(-c2cc(C)cs2)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
KDM4E B2RXH2 8/20 0.43
HPGD P15428 6/20 0.43
ALDH1A1 P00352 5/20 0.43
TSHR P16473 5/20 0.43
HSD17B10 Q99714 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 3/20 0.40
RCE1 Q9Y256 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
TP53 P04637 8/20 0.39
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL10639923 0.79 LMNA (0.48) MAPTALDH1A1TSHRHTTTP53
SCHEMBL10639930 0.79 LMNA (0.48) MAPTALDH1A1TSHRHTTTP53
SCHEMBL5144238 0.76 LMNA (0.44) ALDH1A1KMT2ALMNASMN1; SMN2ACHE
SCHEMBL5144242 0.76 LMNA (0.44) ALDH1A1KMT2ALMNASMN1; SMN2ACHE
SCHEMBL9730370 0.75 LMNA (0.54) MAPTKDM4EALDH1A1TSHRMEN1
SCHEMBL10641110 0.72 TNF (0.49) MAPTALDH1A1TSHRHTTTP53
SCHEMBL10641107 0.72 TNF (0.49) MAPTALDH1A1TSHRHTTTP53
SCHEMBL9729392 0.72 HSD17B10 (0.46) MAPTKDM4EHPGDALDH1A1TSHR
SCHEMBL10636977 0.70 LMNA (0.46) MAPTALDH1A1TSHRHTTTP53
SCHEMBL10639415 0.70 KDM4E (0.46) MAPTKDM4EHPGDALDH1A1TSHR

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
US-5106863-A Antiulcer agents, gastrointestinal disorders ORTHO PHARMACEUTICAL CORPORATION (US) 1992-04-21 US disclosed