SCHEMBL10744136

SCHEMBL10744136

CCCCCCCCCCCCCCCCCCCCc1cc(C)cc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
POLB P06746 2/20 0.50
LMNA P02545 1/20 0.49
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
TYR P14679 2/20 0.40
CYP3A4 P08684 2/20 0.40
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TLR8 Q9NR97 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LIPG Q9Y5X9 1/20 0.39
ALOX5 P09917 4/20 0.38

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
SCHEMBL7652115 1.00 NPC1 (0.56) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL9628940 1.00 NPC1 (0.56) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL9628169 1.00 NPC1 (0.56) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL710489 1.00 NPC1 (0.56) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL38926 1.00 NPC1 (0.56) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL710157 1.00 NPC1 (0.56) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL709920 1.00 NPC1 (0.56) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL7241563 1.00 NPC1 (0.56) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL7649641 1.00 NPC1 (0.56) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL7652102 1.00 NPC1 (0.56) NPC1RAB9APOLBLMNAKDM4E

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-4675352-A PHOTOSTABILITY CIBA-GEIGY CORPORATION (US) 1987-06-23 US disclosed
US-4587346-A ALKYLATION WITH ALKENE AND ACID CATALYST CIBA-GEIGY CORPORATION (US) 1986-05-06 US disclosed