SCHEMBL8538282

SCHEMBL8538282

O=Cc1ccnc(-c2ccccn2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
TDP1 Q9NUW8 3/20 0.53
ALDH1A1 P00352 3/20 0.50
TP53 P04637 2/20 0.48
ALOX15 P16050 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
GRM5 P41594 7/20 0.45
LMNA P02545 2/20 0.45
CCR1 P32246 2/20 0.45
CCR5 P51681 2/20 0.45
CCR8 P51685 2/20 0.45
CYP1A2 P05177 1/20 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
ALPL P05186 2/20 0.44
SMN1; SMN2 Q16637 2/20 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
SCHEMBL8539002 0.92 KDM4E (0.50) KDM4ETDP1ALDH1A1TP53ALOX15
SCHEMBL30132148 0.83 ALDH1A1 (0.50) KDM4ETDP1ALDH1A1L3MBTL1LMNA
SCHEMBL8539424 0.82 FFAR1 (0.42) KDM4ETDP1GRM5MAPK1
SCHEMBL4585500 0.80 CCR1 (0.46) ALDH1A1CCR1CCR5CCR8MPI
SCHEMBL3165466 0.78 KDM4E (0.63) KDM4ETDP1ALDH1A1TP53ALOX15
SCHEMBL30400838 0.78 KDM4E (0.63) KDM4ETDP1ALDH1A1TP53ALOX15
SCHEMBL18002781 0.78 KMT2A (0.52) KDM4EALDH1A1L3MBTL1CCR1POLB
SCHEMBL20400251 0.78 KDM4E (0.63) KDM4ETDP1ALDH1A1TP53ALOX15
SCHEMBL9340705 0.77 KDM4E (0.52) KDM4ETDP1ALDH1A1TP53ALOX15
SCHEMBL776048 0.77 KDM4E (0.67) KDM4ETDP1ALDH1A1TP53ALOX15

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-0588146-B1 Substituted pyridin derivatives and parasiticides containing them BASF AG (DE) 1998-11-11 EP disclosed
US-5346899-A Fungicides especially effective against ascomycetes and basidomycetes BASF AKTIENGESELLSCHAFT (DE) 1994-09-13 US disclosed
EP-0588146-A2 Substituted pyridin derivatives and parasiticides containing them BASF Aktiengesellschaft (DE) 1994-03-23 EP disclosed