SCHEMBL19902075

SCHEMBL19902075

Cc1nc(C(C)C)ccc1-c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
KDM4E B2RXH2 7/20 0.42
LMNA P02545 3/20 0.42
CCR1 P32246 3/20 0.42
CCR5 P51681 3/20 0.42
CCR8 P51685 3/20 0.42
METAP1 P53582 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALOX15 P16050 2/20 0.41
ALPL P05186 1/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL10262377 0.79 KDM4E (0.48) HTTKDM4ELMNACCR1CCR5
SCHEMBL17173346 0.75 KDM4E (0.47) HTTKDM4ELMNACCR1CCR5
SCHEMBL15980657 0.75 PSMB5 (0.42) HTTKDM4ELMNACYP1A2TP53
SCHEMBL13883296 0.75 KDM4E (0.63) HTTKDM4ELMNACCR1CCR5
SCHEMBL5148218 0.72 KDM4E (0.54) HTTKDM4ELMNACCR1CCR5
SCHEMBL17173347 0.72 KDM4E (0.44) HTTKDM4ELMNACCR1CCR5
SCHEMBL17247904 0.72 KDM4E (0.47) HTTKDM4ELMNACCR1CCR5
SCHEMBL17173527 0.72 KDM4E (0.44) HTTKDM4ELMNACCR1CCR5
SCHEMBL15980681 0.72 PDE1A (0.44) L3MBTL1NPC1PDE10ARAB9A
SCHEMBL15980602 0.71 LRRK2 (0.40) PDE10AMAPT

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
US-9905785-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-02-27 US disclosed