SCHEMBL11014433

SCHEMBL11014433

Cc1cc(CCO)cc(-c2ccccn2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.44
CCR5 P51681 3/20 0.44
CCR8 P51685 3/20 0.44
KDM4E B2RXH2 6/20 0.42
LMNA P02545 3/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
METAP1 P53582 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
TP53 P04637 2/20 0.42
ALOX15 P16050 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALPL P05186 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL12131376 0.80 CCR1 (0.51) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL30567052 0.79 KDM4E (0.50) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL7949955 0.78 CCR1 (0.50) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL11004572 0.78 FFAR1 (0.44) CCR1CCR5CCR8FFAR1ALDH1A1
SCHEMBL11016110 0.76 KDM4E (0.50) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL14263382 0.75 CCR1 (0.58) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL10953652 0.75 KDM4E (0.54) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL11030679 0.75 KMT2A (0.37) KDM4EPOLBTDP1MAPK1ALDH1A1
SCHEMBL15046246 0.74 KDM4E (0.53) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL9356136 0.73 KCNH2 (0.47) KDM4ESMN1; SMN2L3MBTL1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0045277-B1 VINYL-SUBSTITUTED 2,2'-BIPYRIDINES, POLYMERS PREPARED THEREFROM, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1985-10-02 EP disclosed
US-4424359-A COMPLEX-FORMING POLYMERS, SCAVENGERS, VINYLATION CIBA-GEIGY CORPORATION (US) 1984-01-03 US disclosed
EP-0045277-A2 Vinyl-substituted 2,2'-bipyridines, polymers prepared therefrom, their preparation and their use CIBA-GEIGY AG (CH) 1982-02-03 EP disclosed