SCHEMBL9680002

SCHEMBL9680002

CCCCCCCCCCCCCCCCc1cc(-c2ccccn2)nc(-c2ccccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.49
CCR5 P51681 3/20 0.49
CCR8 P51685 3/20 0.49
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TP53 P04637 1/20 0.47
ALPL P05186 1/20 0.47
HSP90AA1 P07900 1/20 0.47
ALPI P09923 1/20 0.47
ALPG P10696 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL28081472 0.88 CYP1A2 (0.45) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL4849559 0.84 CCR1 (0.49) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL4849761 0.84 CCR1 (0.49) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL10020880 0.84 PTGS2 (0.44) KDM4ELMNATDP1L3MBTL1TP53
Dipyridyl SCHEMBL28135789 0.83 KDM4E (0.64) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL7951004 0.83 CCR1 (0.50) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL7949955 0.83 CCR1 (0.50) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL9756771 0.83 HRH1 (0.51) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL4844930 0.81 CES1 (0.46) CCR1CCR5CCR8CES1FAAH
SCHEMBL4851185 0.81 CES1 (0.46) CCR1CCR5CCR8CES1FAAH

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-5104988-A Colorfast metallized dyes FUJI PHOTO FILM CO., LTD. (JP) 1992-04-14 US disclosed
US-4960895-A AS A LIGAND FOR MAKING METALLIZED DYES FUJI PHOTO FILM CO., LTD. (JP) 1990-10-02 US disclosed