SCHEMBL11640971

SCHEMBL11640971

C=CCOC(=O)c1c(O)c2ccccc2n(C)c1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.73
▸ KDM4E B2RXH2 6/20 0.73
▸ LMNA P02545 3/20 0.61
▸ NPC1 O15118 4/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ GABRP O00591 1/20 0.54
▸ GABRD O14764 1/20 0.54
▸ GABRA1 P14867 1/20 0.54
▸ GABRB1 P18505 1/20 0.54
▸ GABRG2 P18507 1/20 0.54
▸ GABRB3 P28472 1/20 0.54
▸ GABRA5 P31644 1/20 0.54
▸ GABRA3 P34903 1/20 0.54
▸ GABRA2 P47869 1/20 0.54
▸ GABRB2 P47870 1/20 0.54
▸ GABRA4 P48169 1/20 0.54
▸ GABRE P78334 1/20 0.54
▸ GABRA6 Q16445 1/20 0.54
▸ GABRG1 Q8N1C3 1/20 0.54
▸ GABRG3 Q99928 1/20 0.54

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
SCHEMBL11636684 0.85 KDM4E (0.76) ALDH1A1KDM4ELMNAALOX15MEN1
SCHEMBL30099678 0.84 ALDH1A1 (1.00) ALDH1A1KDM4ELMNANPC1ALOX15
SCHEMBL1061607 0.84 ALDH1A1 (1.00) ALDH1A1KDM4ELMNANPC1ALOX15
SCHEMBL11640249 0.84 LMNA (0.80) ALDH1A1KDM4ELMNANPC1MEN1
SCHEMBL11639579 0.83 RECQL (0.72) ALDH1A1KDM4ELMNANPC1GABRP
SCHEMBL11639469 0.82 ALDH1A1 (0.50) ALDH1A1KDM4ELMNANPC1ALOX15
SCHEMBL11643253 0.80 LMNA (0.61) ALDH1A1KDM4ELMNANPC1MEN1
SCHEMBL1685954 0.80 ALDH1A1 (0.72) ALDH1A1KDM4ELMNANPC1ALOX15
SCHEMBL11638740 0.80 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAGABRPGABRD
SCHEMBL11639723 0.79 ALDH1A1 (0.61) ALDH1A1KDM4ELMNANPC1GABRP

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-4119720-A ANTIALLERGENS SANDOZ, INC. (US) 1978-10-10 — — US claimed
US-4119720-A ANTIALLERGENS SANDOZ, INC. (US) 1978-10-10 — — US disclosed
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