SCHEMBL14567414

SCHEMBL14567414

N=C1NC(=N)c2c1c(-n1cccn1)c1ccccc1c2-n1cccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ NOTUM Q6P988 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ G6PD P11413 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ KDM4A O75164 1/20 0.33
▸ KDM4B O94953 1/20 0.33
▸ KDM5C P41229 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ DRD3 P35462 1/20 0.32

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
SCHEMBL14567405 0.69 MAPK1 (0.46) MAPK1NPC1NOTUMALDH1A1KDM4E
SCHEMBL18663466 0.65 ALDH1A1 (0.39) NPC1ALDH1A1KDM4EMAPTLMNA
SCHEMBL4341886 0.63 MAPK1 (0.67) MAPK1NPC1NOTUMALDH1A1KDM4E
SCHEMBL4637109 0.63 MAPK1 (0.40) MAPK1NPC1NOTUMALDH1A1KDM4E
SCHEMBL20756073 0.62 ALDH1A1 (0.57) MAPK1NPC1NOTUMALDH1A1KDM4E
SCHEMBL31525603 0.61 MAPT (0.46) MAPK1NPC1ALDH1A1KDM4EMAPT
SCHEMBL14057557 0.61 AHR (0.47) MAPK1NPC1NOTUMALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4336588 0.61 MAPK1 (0.64) MAPK1NPC1NOTUMALDH1A1KDM4E
SCHEMBL27250 0.61 NOTUM (0.65) MAPK1NPC1NOTUMALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4340576 0.61 MAPK1 (0.64) MAPK1NPC1NOTUMALDH1A1KDM4E

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-20070073054-A1 Naphthalocyanine dye and method for producing the same FUJI PHOTO FILM CO., LTD. 2007-03-29 — — US disclosed
US-20070073054-A1 Naphthalocyanine dye and method for producing the same FUJI PHOTO FILM CO., LTD. 2007-03-29 — — US disclosed
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