SCHEMBL27964293

SCHEMBL27964293

CCCCCCP.CCOC(=O)c1ncc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
JMJD6 Q6NYC1 1/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 4/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 2/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 2/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL152733 0.85 NUDT1 (0.49) NUDT1NPC1RAB9AKDM4ELMNA
Bromide SCHEMBL29572453 0.84 NUDT1 (0.48) NUDT1NPC1RAB9AKDM4ELMNA
Hydrochloric Acid SCHEMBL29571385 0.84 NUDT1 (0.48) NUDT1NPC1RAB9AKDM4EMAPK1
Hydrochloric Acid SCHEMBL6175391 0.84 NUDT1 (0.48) NUDT1NPC1RAB9AKDM4EMAPK1
SCHEMBL6157521 0.83 NPC1 (0.39) NPC1RAB9ACYP1A2KMT2ACYP3A4
SCHEMBL28030364 0.83 NPC1 (0.39) NPC1RAB9AKDM4ECYP1A2KMT2A
SCHEMBL8863229 0.83 LMNA (0.50) NPC1RAB9AKDM4ELMNAMAPK1
SCHEMBL9738958 0.83 LMNA (0.50) NPC1RAB9AKDM4ELMNAMAPK1
SCHEMBL1961672 0.81 LMNA (0.49) NPC1RAB9AKDM4ELMNAMAPK1
SCHEMBL2421526 0.80 LMNA (0.54) NPC1RAB9ALMNAMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103752134-B The method of the energy-efficient carbon trapping of a kind of ionic liquid ZHEJIANG UNIVERSITY (CN) 2015-10-28 CN claimed
CN-103752134-A Efficient and energy-saving method for trapping carbon by ionic liquid UNIV ZHEJIANG 2014-04-30 CN claimed
CN-103752134-B The method of the energy-efficient carbon trapping of a kind of ionic liquid ZHEJIANG UNIVERSITY (CN) 2015-10-28 CN disclosed
CN-103752134-A Efficient and energy-saving method for trapping carbon by ionic liquid UNIV ZHEJIANG 2014-04-30 CN disclosed