SCHEMBL24254614

SCHEMBL24254614

c1ccc(-c2cccc(Cc3ccncc3)n2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
L3MBTL1 Q9Y468 4/20 0.55
TP53 P04637 4/20 0.55
LMNA P02545 3/20 0.55
CCR1 P32246 3/20 0.55
CCR5 P51681 3/20 0.55
CCR8 P51685 3/20 0.55
ALOX15 P16050 2/20 0.55
HTT P42858 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
ALPL P05186 1/20 0.55
HSP90AA1 P07900 1/20 0.55
ALPI P09923 1/20 0.55
ALPG P10696 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
METAP1 P53582 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL913447 0.90 SMN1; SMN2 (0.59) KDM4ESMN1; SMN2L3MBTL1TP53LMNA
SCHEMBL30637256 0.90 SMN1; SMN2 (0.59) KDM4ESMN1; SMN2L3MBTL1TP53LMNA
SCHEMBL2750124 0.80 L3MBTL1 (0.63) SMN1; SMN2L3MBTL1LMNAALOX15TDP1
SCHEMBL18769070 0.77 KDM4E (0.65) KDM4ESMN1; SMN2L3MBTL1TP53LMNA
SCHEMBL2720567 0.75 KDM4E (0.63) KDM4ESMN1; SMN2L3MBTL1TP53LMNA
SCHEMBL313802 0.75 KDM4E (0.63) KDM4ESMN1; SMN2L3MBTL1TP53LMNA
SCHEMBL14732968 0.75 KDM4E (0.63) KDM4ESMN1; SMN2L3MBTL1TP53LMNA
SCHEMBL20863011 0.75 KDM4E (0.63) KDM4ESMN1; SMN2L3MBTL1TP53LMNA
SCHEMBL13596181 0.75 KDM4E (0.63) KDM4ESMN1; SMN2L3MBTL1TP53LMNA
SCHEMBL2085837 0.75 KDM4E (0.63) KDM4ESMN1; SMN2L3MBTL1TP53LMNA

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
WO-2022035917-A1 SYNTHESIS OF FLUORINATED NUCLEOTIDES MERCK SHARP & DOHME CORP. (US) 2022-02-17 WO disclosed