SCHEMBL10453754

SCHEMBL10453754

CNc1c(/N=N/c2c(C(=O)OC)cnn2C)c(C)nn1-c1cc(-n2nc(C)c(/N=N/c3c(C(=O)OC)cnn3C)c2N)ncn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 7/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KMT2A Q03164 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ SLC34A1 Q06495 5/20 0.32
▸ TP53 P04637 1/20 0.31
▸ HPGD P15428 1/20 0.30

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
SCHEMBL10453828 0.94 NPC1 (0.46) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL9972811 0.90 NPC1 (0.43) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10454267 0.89 NPC1 (0.42) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10234011 0.89 NPC1 (0.35) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL9972776 0.88 NPC1 (0.42) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL4068359 0.88 NPC1 (0.42) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL13131240 0.86 NPC1 (0.37) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10452732 0.85 KMT2A (0.39) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10454090 0.84 NPC1 (0.50) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL9972798 0.84 NPC1 (0.36) NPC1RAB9AALDH1A1MAPTLMNA

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-8222326-B2 Water-based ink composition for inkjet recording FUJIFILM CORPORATION (JP) 2012-07-17 — — US disclosed
US-20100160504-A1 WATER-BASED INK COMPOSITION FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2010-06-24 — — US disclosed
Send feedback