SCHEMBL17898421

SCHEMBL17898421

c1cc2cc(c1)c1ccc3ccc4ccc(nc4c3n1)c1cccc(c1)c1ccc3ccc4ccc2nc4c3n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
ACHE P22303 3/20 0.55
MAPT P10636 2/20 0.55
GLA P06280 2/20 0.55
HTR3A P46098 1/20 0.45
TERT O14746 1/20 0.41
LMNA P02545 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
CCR1 P32246 2/20 0.40
CCR5 P51681 2/20 0.40
GMNN O75496 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MMP2 P08253 1/20 0.40
CYP2D6 P10635 1/20 0.40
MMP9 P14780 1/20 0.40

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
SCHEMBL4902020 0.84 ALDH1A1 (0.70) ALDH1A1HPGDACHEMAPTGLA
SCHEMBL12446825 0.77 ALDH1A1 (0.52) ALDH1A1HPGDACHEMAPTGLA
SCHEMBL5476360 0.77 CCR1 (0.61) ALDH1A1HPGDACHEMAPTGLA
SCHEMBL12446467 0.77 CYP1A2 (0.61) ALDH1A1HPGDACHEMAPTGLA
SCHEMBL15498000 0.76 CCR1 (0.47) ALDH1A1HPGDACHEMAPTTERT
SCHEMBL15497988 0.75 LMNA (0.52) ALDH1A1HPGDACHEMAPTGLA
Ammonia Solution, Strong SCHEMBL27496574 0.74 ACHE (0.61) ALDH1A1HPGDACHEMAPTGLA
SCHEMBL1325210 0.73 ALDH1A1 (0.60) ALDH1A1HPGDACHEMAPTGLA
Pyrene SCHEMBL28323778 0.72 ALDH1A1 (0.75) ALDH1A1HPGDACHEMAPTGLA
SCHEMBL30141893 0.72 ALDH1A1 (0.58) ALDH1A1HPGDACHEMAPTGLA

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-20160197282-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, LIGHT EMITTING DEVICE, LIGHTING DEVICE, DISPLAY DEVICE AND ELECTRONIC DEVICE Konica Minolta, Inc. (JP) 2016-07-07 US disclosed
US-20160197282-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, LIGHT EMITTING DEVICE, LIGHTING DEVICE, DISPLAY DEVICE AND ELECTRONIC DEVICE Konica Minolta, Inc. (JP) 2016-07-07 US disclosed