SCHEMBL30749488

SCHEMBL30749488

Clc1ccccc1-c1cc(-c2ccccn2)nc(-c2ccccn2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.62
CCR5 P51681 3/20 0.62
CCR8 P51685 3/20 0.62
GRM5 P41594 5/20 0.53
KDM4E B2RXH2 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 3/20 0.52
TP53 P04637 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
ALOX15 P16050 2/20 0.52
HTT P42858 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
MAPK1 P28482 2/20 0.52
ALPL P05186 1/20 0.52
HSP90AA1 P07900 1/20 0.52
ALPI P09923 1/20 0.52
ALPG P10696 1/20 0.52
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
METAP1 P53582 1/20 0.48

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
SCHEMBL10707566 0.83 CCR1 (0.68) CCR1CCR5CCR8GRM5KDM4E
SCHEMBL13311188 0.82 KDM4E (0.61) CCR1CCR5CCR8KDM4ESMN1; SMN2
SCHEMBL21662030 0.81 GRM5 (0.48) CCR1CCR5CCR8GRM5KDM4E
SCHEMBL19794340 0.81 HSP90AA1 (0.56) KDM4ESMN1; SMN2LMNATP53L3MBTL1
SCHEMBL4951059 0.81 KDM4E (0.70) CCR1CCR5CCR8KDM4ESMN1; SMN2
SCHEMBL28936052 0.80 CYP2A6 (0.54) CCR1CCR5CCR8GRM5KDM4E
SCHEMBL9228521 0.79 CCR1 (0.53) CCR1CCR5CCR8GRM5KDM4E
SCHEMBL19500914 0.79 GRM5 (0.58) CCR1CCR5CCR8GRM5KDM4E
SCHEMBL9230260 0.79 CCR1 (0.53) CCR1CCR5CCR8GRM5KDM4E
SCHEMBL30749507 0.79 CCR1 (0.53) CCR1CCR5CCR8KDM4ESMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117447391-A Application of halogenated terpyridine compounds as phosphorescent materials 中南大学 2024-01-26 CN disclosed