SCHEMBL11533348

SCHEMBL11533348

Cc1[c]ccc(-c2ccccn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
LMNA P02545 3/20 0.45
CCR1 P32246 3/20 0.45
CCR5 P51681 3/20 0.45
CCR8 P51685 3/20 0.45
CYP1A2 P05177 2/20 0.45
POLB P06746 1/20 0.45
METAP1 P53582 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
NPC1 O15118 4/20 0.44
TP53 P04637 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALOX15 P16050 2/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL16026593 0.80 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4364995 0.79 KDM4E (0.45) KDM4ELMNACCR1CCR5CCR8
SCHEMBL6167747 0.79 PI4KA (0.45) KDM4ELMNACCR1CCR5CCR8
SCHEMBL8061465 0.78 KDM4E (0.41) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7555625 0.78 KDM4E (0.41) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28596707 0.77 CYP2A6 (0.44) KDM4ELMNACCR1CCR5CCR8
SCHEMBL8043556 0.75 PDK2 (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL6354 0.72 KDM4E (0.56) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29679578 0.72 KDM4E (0.62) KDM4ELMNACCR1CCR5CCR8
SCHEMBL502867 0.72 KDM4E (0.62) KDM4ELMNACCR1CCR5CCR8

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
US-4179511-A Antibacterial 3-(5-tetrazolyl) penam compounds PFIZER INC. (US) 1979-12-18 US disclosed
US-4143039-A ANTIBACTERIAL 3-(5-TETRAZOLYL)PENAM COMPOUNDS PFIZER INC. (US) 1979-03-06 US disclosed
US-4115385-A PENICILLINS PFIZER INC. (US) 1978-09-19 US disclosed