SCHEMBL8969966

SCHEMBL8969966

Clc1cc[c]c(-c2ccccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.50
CCR5 P51681 3/20 0.50
CCR8 P51685 3/20 0.50
KDM4E B2RXH2 7/20 0.45
LMNA P02545 4/20 0.45
METAP1 P53582 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 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 6/20 0.43
RAB9A P51151 5/20 0.43
PKM P14618 4/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
TP53 P04637 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
HPGD P15428 2/20 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
SCHEMBL16026593 0.80 KDM4E (0.46) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL14783067 0.79 KDM4E (0.45) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL1780817 0.79 KDM4E (0.45) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL5760990 0.79 KDM4E (0.45) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL9957567 0.77 GRM5 (0.44) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL37815 0.75 KDM4E (0.54) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL6725203 0.75 KDM4E (0.41) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL6726681 0.75 RAB9A (0.46) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL9598825 0.75 METAP2 (0.46) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL14976333 0.74 RORB (0.38) CCR1CCR5CCR8KDM4ELMNA

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-5519016-A Aryl group- or aromatic heterocyclic group-substituted aminoquinolone derivatives and anti-HIV agent UBE INDUSTRIES, LTD. (JP) 1996-05-21 US disclosed
US-4569942-A N,3-Disubstituted 2-oxindole-1-carboxamides as analgesic and antiinflammatory agents PFIZER INC. (US) 1986-02-11 US disclosed