SCHEMBL28308153

SCHEMBL28308153

CC[n+]1ccccc1-c1cccc[n+]1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
NPC1 O15118 8/20 0.40
RAB9A P51151 8/20 0.40
SMN1; SMN2 Q16637 7/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 7/20 0.40
MEN1 O00255 6/20 0.40
HTT P42858 6/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 1/20 0.40
STAT3 P40763 1/20 0.40
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 3/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
RAD52 P43351 2/20 0.37
RGS12 O14924 1/20 0.37
USP2 O75604 1/20 0.37
HSP90AA1 P07900 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL29659692 0.87 NPC1 (0.46) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL17130422 0.86 KDM4E (0.41) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL23131035 0.84 KDM4E (0.37) KDM4ENPC1RAB9ASMN1; SMN2POLB
Iodide SCHEMBL17114377 0.84 KDM4E (0.44) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL17130418 0.83 SLC22A2 (0.40) KDM4ENPC1RAB9ASMN1; SMN2POLB
Hydrochloric Acid SCHEMBL5143902 0.80 MEN1 (0.37) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL18768527 0.80 ALDH1A1 (0.40) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL2862221 0.78 KDM4E (0.45) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL18768720 0.78 KDM4E (0.45) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL17130342 0.78 ALDH1A1 (0.39) KDM4ENPC1RAB9ASMN1; SMN2POLB

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
CN-110054628-A A kind of water stablizes hydridization lead iodine perovskite material and its application 济南大学 2019-07-26 CN disclosed
CN-110054628-A A kind of water stablizes hydridization lead iodine perovskite material and its application 济南大学 2019-07-26 CN disclosed