SCHEMBL20030125

SCHEMBL20030125

CCc1cccc(N(c2cccc(C)c2)c2cccc(C)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.43
NPC1 O15118 1/20 0.42
JAK2 O60674 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
PAX8 Q06710 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
POLB P06746 2/20 0.41
ACHE P22303 1/20 0.41
IDO1 P14902 2/20 0.40
CETP P11597 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL13136831 0.98 SIGMAR1 (0.42) SIGMAR1NPC1JAK2ALDH1A1HTT
SCHEMBL13479421 0.98 SIGMAR1 (0.42) SIGMAR1NPC1JAK2ALDH1A1HTT
SCHEMBL19920151 0.96 SIGMAR1 (0.47) SIGMAR1NPC1JAK2ALDH1A1HTT
SCHEMBL25770671 0.95 SIGMAR1 (0.46) SIGMAR1NPC1JAK2ALDH1A1HTT
SCHEMBL1858399 0.93 BCL2 (0.41) SIGMAR1NPC1JAK2ALDH1A1HTT
SCHEMBL10301479 0.90 SIGMAR1 (0.43) SIGMAR1NPC1JAK2ALDH1A1HTT
SCHEMBL16664774 0.89 RAPGEF4 (0.38) SIGMAR1NPC1JAK2ALDH1A1HTT
SCHEMBL13136833 0.89 POLB (0.47) SIGMAR1NPC1JAK2ALDH1A1HTT
SCHEMBL21392008 0.89 CYP2C19 (0.44) SIGMAR1RAPGEF4
SCHEMBL13136832 0.89 CYP2C19 (0.44) SIGMAR1RAPGEF4

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-10897025-B2 Electroactive materials LG CHEM, LTD. 2021-01-19 US disclosed
US-20180097193-A1 ELECTROACTIVE MATERIALS LG CHEM, LTD. (KR) 2018-04-05 US disclosed