SCHEMBL14567405

SCHEMBL14567405

N#Cc1c(C#N)c(-n2cccn2)c2ccccc2c1-n1cccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ ADORA2A P29274 1/20 0.45
▸ ALDH1A1 P00352 6/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ GAA P10253 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ APBA1 Q02410 1/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ GRM5 P41594 6/20 0.37
▸ LMNA P02545 1/20 0.35
▸ G6PD P11413 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 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
SCHEMBL14567407 0.81 ADORA2A (0.42) MAPK1NPC1ADORA2AALDH1A1KDM4E
SCHEMBL7916403 0.73 ALDH1A1 (0.40) MAPK1NPC1ADORA2AALDH1A1KDM4E
SCHEMBL14567406 0.70 CYP3A4 (0.60) MAPK1ALDH1A1KDM4EGAAMEN1
SCHEMBL29563253 0.69 NPC1 (0.51) MAPK1NPC1ADORA2AALDH1A1KDM4E
SCHEMBL4219748 0.69 NPC1 (0.51) MAPK1NPC1ADORA2AALDH1A1KDM4E
SCHEMBL14567414 0.69 MAPK1 (0.44) MAPK1NPC1ALDH1A1KDM4EGAA
SCHEMBL30384894 0.68 ADORA2A (0.46) MAPK1NPC1ADORA2AALDH1A1KDM4E
SCHEMBL16680797 0.68 ALDH1A1 (0.48) MAPK1NPC1ADORA2AALDH1A1KDM4E
SCHEMBL2170098 0.68 TSHR (0.44) MAPK1NPC1ADORA2AALDH1A1KDM4E
SCHEMBL4215654 0.68 NPC1 (0.50) MAPK1NPC1ADORA2AALDH1A1KDM4E

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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