SCHEMBL9488790

SCHEMBL9488790

CCSc1cc(-c2ccccc2)nc(-c2ccccn2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 2/20 0.47
SQOR Q9Y6N5 1/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 1/20 0.46
GRM5 P41594 2/20 0.44
CYP2D6 P10635 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
PKM P14618 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 2/20 0.43
METAP1 P53582 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
SCHEMBL18698106 0.79 KDM4E (0.68) KDM4ETDP1ALDH1A1HTTCYP1A2
SCHEMBL24590025 0.76 KDM4E (0.63) KDM4ETDP1ALDH1A1HTTCYP1A2
SCHEMBL19882073 0.76 KDM4E (0.63) KDM4ETDP1ALDH1A1HTTCYP1A2
SCHEMBL18104244 0.75 FFAR1 (0.58) KDM4ETDP1GRM5SMN1; SMN2TP53
SCHEMBL17725019 0.73 KDM4E (0.46) KDM4ETDP1ALDH1A1HTTCYP1A2
SCHEMBL7834400 0.72 MAPK14 (0.55) KDM4EALDH1A1CYP2C9TP53L3MBTL1
SCHEMBL9487125 0.72 KDM4E (0.57) KDM4ETDP1ALDH1A1GRM5SMN1; SMN2
SCHEMBL7264634 0.72 ADORA2A (0.68) KDM4ETDP1ALDH1A1SMN1; SMN2TP53
SCHEMBL9846207 0.72 KDM4E (0.57) KDM4ETDP1ALDH1A1HTTCYP1A2
SCHEMBL2297589 0.72 HTR7 (0.64) KDM4ETDP1ALDH1A1HTTSQOR

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
US-5250533-A Fungicidal pyridinylpyrimidines BAYER AKTIENGESELLSCHAFT (DE) 1993-10-05 US claimed