SCHEMBL19745058

SCHEMBL19745058

Cc1ccnc2ccccc12.Cc1ccnc2ccccc12.Cc1ccnc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.56
LOXL2 Q9Y4K0 1/20 0.52
CCR1 P32246 1/20 0.50
CCR5 P51681 1/20 0.50
CCR8 P51685 1/20 0.50
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
HCRTR1 O43613 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SENP8 Q96LD8 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL29578471 1.00 NCF1 (0.56) NCF1LOXL2CCR1CCR5CCR8
SCHEMBL31559 1.00 NCF1 (0.56) NCF1LOXL2CCR1CCR5CCR8
SCHEMBL9815408 1.00 NCF1 (0.56) NCF1LOXL2CCR1CCR5CCR8
Water SCHEMBL2007545 0.98 NCF1 (0.54) NCF1LOXL2CCR1CCR5CCR8
Hydrochloric Acid SCHEMBL11672468 0.98 NCF1 (0.54) NCF1LOXL2CCR1CCR5CCR8
Iodide SCHEMBL23391640 0.98 NCF1 (0.54) NCF1LOXL2CCR1CCR5CCR8
SCHEMBL29712077 0.98 NCF1 (0.54) NCF1LOXL2CCR1CCR5CCR8
SCHEMBL28466115 0.98 NCF1 (0.54) NCF1LOXL2CCR1CCR5CCR8
Hydrochloric Acid SCHEMBL30800448 0.98 NCF1 (0.54) NCF1LOXL2CCR1CCR5CCR8
Bromide SCHEMBL29887635 0.98 NCF1 (0.54) NCF1LOXL2CCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017223033-A1 AQUEOUS FRESHENING COMPOSITIONS AND FRESHENING PRODUCTS COMPRISING THE AQUEOUS FRESHENING COMPOSITIONS CONTAINED IN PRESSURIZED PLASTIC CONTAINERS THE PROCTER & GAMBLE COMPANY (US) 2017-12-28 WO disclosed