SCHEMBL17558231

SCHEMBL17558231

Nc1ccc2ccc3nc4ccccc4cc3c2c1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
KMT2A Q03164 5/20 0.59
GLA P06280 4/20 0.59
HPGD P15428 4/20 0.59
KDM4E B2RXH2 4/20 0.59
RAB9A P51151 4/20 0.59
GAA P10253 4/20 0.59
POLB P06746 3/20 0.59
LMNA P02545 2/20 0.59
NPC1 O15118 2/20 0.59
PTBP1 P26599 1/20 0.59
RCE1 Q9Y256 1/20 0.59
HTR3A P46098 1/20 0.47
ACHE P22303 3/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46

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
SCHEMBL367365 0.86 ALDH1A1 (0.67) ALDH1A1KMT2AGLAHPGDKDM4E
SCHEMBL11766047 0.85 ALDH1A1 (0.71) ALDH1A1KMT2AGLAHPGDKDM4E
Hydrochloric Acid SCHEMBL28694123 0.84 KMT2A (0.65) ALDH1A1KMT2AGLAHPGDKDM4E
Hydrochloric Acid SCHEMBL7768198 0.84 KMT2A (0.65) ALDH1A1KMT2AGLAHPGDKDM4E
SCHEMBL11690096 0.84 ALDH1A1 (0.58) ALDH1A1KMT2AGLAHPGDKDM4E
Hydrochloric Acid SCHEMBL31316277 0.83 ALDH1A1 (0.69) ALDH1A1KMT2AGLAHPGDKDM4E
Alcohol SCHEMBL17477270 0.78 KMT2A (0.56) ALDH1A1KMT2AGLAHPGDKDM4E
SCHEMBL9039144 0.76 ALDH1A1 (0.62) ALDH1A1KMT2AGLAHPGDKDM4E
SCHEMBL4299906 0.75 ALDH1A1 (0.70) ALDH1A1KMT2AGLAHPGDKDM4E
SCHEMBL8204956 0.75 ALDH1A1 (0.51) ALDH1A1KMT2AGLAHPGDKDM4E

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
EP-3188894-A1 DIAGNOSTIC DEVICES WITH MODIFIABLE HYDROPHOBIC SURFACES Siemens Healthcare Diagnostics Inc. (US) 2017-07-12 EP disclosed
WO-2016036658-A1 DIAGNOSTIC DEVICES WITH MODIFIABLE HYDROPHOBIC SURFACES SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2016-03-10 WO disclosed