SCHEMBL12555727

SCHEMBL12555727

CCC[n+]1ccc(-c2nnc(-c3cc[n+](CCP(=O)(O)O)cc3)o2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.36
▸ RAB9A P51151 9/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 7/20 0.35
▸ KDM4E B2RXH2 5/20 0.35
▸ HPGD P15428 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TP53 P04637 4/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ADCY1 Q08828 1/20 0.34
▸ USP2 O75604 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
SCHEMBL1226951 0.77 MEN1 (0.39) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL9889761 0.76 MEN1 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
Bromide SCHEMBL918125 0.75 MEN1 (0.38) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL210855 0.75 MEN1 (0.38) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL10002120 0.75 NQO2 (0.33) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL29201320 0.74 MEN1 (0.40) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL3364505 0.74 MEN1 (0.40) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL22931361 0.74 MEN1 (0.58) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL22953513 0.74 MEN1 (0.58) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL13974630 0.73 SLC6A4 (0.42) NPC1RAB9ASMN1; SMN2KDM4EMAPT

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-8765309-B2 Electrochemical device KONICA MINOLTA HOLDINGS, INC. (JP) 2014-07-01 — — US disclosed
US-20110143211-A1 ELECTROCHEMICAL DEVICE KONICA MINOLTA HOLDINGS, INC. (JP) 2011-06-16 — — US disclosed
Send feedback