SCHEMBL9357101

SCHEMBL9357101

CCC(O)Nc1nc(Cl)nc(Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.35
NFKB1 P19838 2/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 1/20 0.35
PDE4A P27815 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C9 P11712 1/20 0.33
NPR3 P17342 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL3295987 0.84 KMT2A (0.39) GAATDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL11044268 0.77 GAA (0.56) GAATDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL28390117 0.76 IDH1 (0.58)
SCHEMBL22158831 0.76 TDP1 (0.45) GAATDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL22158830 0.76 TDP1 (0.45) GAATDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL9188014 0.76 GAA (0.60) GAATDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL8201839 0.75 LMNA (0.31) LMNA
SCHEMBL6700072 0.75 HTR7 (0.33) GAATDP1ALDH1A1KMT2AKDM4E
Methoxymethane SCHEMBL27642128 0.71 NPC1 (0.31) SMN1; SMN2KMT2AMEN1
SCHEMBL1923400 0.70 GAA (0.90) GAATDP1LMNASMN1; SMN2ALDH1A1

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
EP-0356014-B1 Reactive Dyes ZENECA LTD (GB) 1994-11-30 EP disclosed
EP-0279122-B1 REACTIVE DYES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-06-10 EP disclosed
US-5019134-A Triphenodioxazines IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-05-28 US disclosed
EP-0356014-A1 Reactive Dyes ZENECA LIMITED (GB) 1990-02-28 EP disclosed