SCHEMBL9722776

SCHEMBL9722776

COC(=O)c1[c]sc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
ATM Q13315 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 3/20 0.41
NR4A2 P43354 4/20 0.41
NPC1 O15118 1/20 0.40
CREBBP Q92793 1/20 0.39
PMM2 O15305 1/20 0.39

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
SCHEMBL14156882 0.73 ELANE (0.38) LMNAMAPK1ALDH1A1KDM4EATM
SCHEMBL3527744 0.72 ALDH1A1 (0.39) LMNAMAPK1ALDH1A1KDM4EATM
SCHEMBL27552294 0.69 F10 (0.40) LMNAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL16289592 0.67 ALDH1A1 (0.46) LMNAMAPK1ALDH1A1KDM4EATM
SCHEMBL71339 0.67 HDAC3 (0.62) LMNAMAPK1ALDH1A1KDM4EATM
SCHEMBL70573 0.66 CA12 (0.60) LMNAMAPK1ALDH1A1KDM4EATM
SCHEMBL9217734 0.66 SMN1; SMN2 (0.51) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9495325 0.66 LMNA (1.00) LMNAMAPK1ALDH1A1KDM4EATM
SCHEMBL19142574 0.66 TP53 (0.61) LMNAMAPK1ALDH1A1KDM4EATM
SCHEMBL7517735 0.66 NCEH1 (0.43) MAPK1ALDH1A1KDM4EHPGDHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4994563-A Dyeing, printing cellulose, silk, wool, synthetic polyamides; colorfastness CIBA-GEIGY CORPORATION (US) 1991-02-19 US claimed
EP-0349486-A2 Azo dyes, their preparation and their use CIBA-GEIGY AG (CH) 1990-01-03 EP claimed
US-5120872-A Textile dyeing CIBA-GEIGY CORPORATION (US) 1992-06-09 US disclosed
US-4994563-A Dyeing, printing cellulose, silk, wool, synthetic polyamides; colorfastness CIBA-GEIGY CORPORATION (US) 1991-02-19 US disclosed