SCHEMBL11822171

SCHEMBL11822171

NNc1nnccc1Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.43
▸ MAPT P10636 5/20 0.43
▸ GAA P10253 5/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 6/20 0.41
▸ LMNA P02545 3/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ CYP2D6 P10635 3/20 0.41
▸ GOT1 P17174 3/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ TDP1 Q9NUW8 6/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ PTGS2 P35354 3/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ PTGS1 P23219 4/20 0.40
▸ MAOA P21397 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL28369905 0.87 HSD17B10 (0.42) KDM4EMAPTGAAMEN1KMT2A
SCHEMBL11823547 0.83 LMNA (0.43) MAPTGAAMEN1KMT2ALMNA
SCHEMBL11823585 0.80 GAA (0.51) KDM4EMAPTGAAMEN1KMT2A
SCHEMBL11825813 0.79 PTGS1 (0.44) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL11827688 0.79 EPHX2 (0.41) KDM4EMAPTGAAMEN1KMT2A
SCHEMBL10817008 0.78 GOT1 (0.41) KDM4EMAPTGAAALDH1A1LMNA
SCHEMBL11826081 0.73 GOT1 (0.38) KDM4EMAPTALDH1A1LMNACYP1A2
SCHEMBL11823327 0.72 ALDH1A1 (0.46) KDM4EMAPTGAAMEN1KMT2A
Hydrochloric Acid SCHEMBL11824418 0.72 GOT1 (0.38) KDM4EMAPTALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL11823944 0.71 ALDH1A1 (0.45) KDM4EMAPTGAAMEN1KMT2A

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-3978057-A HYPOTENSIVE AGENTS SANDOZ, INC. (US) 1976-08-31 — — US disclosed
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