SCHEMBL9722741

SCHEMBL9722741

Cc1ccc2nsc(N)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
NCK1 P16333 1/20 0.41
BACE1 P56817 1/20 0.41
ACHE P22303 5/20 0.39
BCHE P06276 4/20 0.39
GRIN1 Q05586 4/20 0.39
GRIN2A Q12879 4/20 0.39
LMNA P02545 2/20 0.39
TYMS P04818 1/20 0.38
ELANE P08246 1/20 0.37
PARP1 P09874 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 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
SCHEMBL11420639 0.84 ACHE (0.39) MAPTRAB9ANCK1BACE1ACHE
SCHEMBL11684391 0.80 ELANE (0.37) MAPTRAB9ALMNATYMSELANE
SCHEMBL5040647 0.80 LMNA (0.39) MAPTRAB9ANCK1BACE1LMNA
SCHEMBL15257485 0.79 LMNA (0.41) MAPTRAB9ANCK1BACE1LMNA
SCHEMBL9722807 0.76 HTT (0.44) BACE1ACHEBCHEGRIN1GRIN2A
SCHEMBL9722805 0.76 NR4A2 (0.47) MAPTRAB9ABACE1ACHEBCHE
SCHEMBL14185473 0.76 LMNA (0.39) MAPTRAB9ANCK1BACE1LMNA
SCHEMBL10943121 0.73 SLC2A1 (0.45) MAPTRAB9ASMN1; SMN2TP53KDM4E
SCHEMBL9722811 0.72 EPHX2 (0.47) BACE1PARP1KDM4E
SCHEMBL20748370 0.71 CA1 (0.42) MAPTRAB9ALMNATDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0349486-A2 Azo dyes, their preparation and their use CIBA-GEIGY AG (CH) 1990-01-03 EP disclosed