SCHEMBL8563059

SCHEMBL8563059

Cc1ncc(Cn2c(S)nc3ccccc32)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
TNF P01375 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
GALR3 O60755 3/20 0.40
NR2F2 P24468 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
FEN1 P39748 1/20 0.38
PDE6D O43924 1/20 0.38
ALDH2 P05091 1/20 0.38
ALDH3A1 P30838 1/20 0.38
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
MYC P01106 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL14263834 0.86 TNF (0.57) HPGDMAPTTNFALDH1A1TSHR
SCHEMBL4991751 0.84 LMNA (0.45) HPGDMAPTTNFALDH1A1HSD17B10
SCHEMBL9699493 0.76 SMN1; SMN2 (0.39) HPGDMAPTALDH1A1HSD17B10KDM4E
SCHEMBL9303969 0.73 KCNH2 (0.60) MAPTALDH1A1USP2TP53LMNA
SCHEMBL8162459 0.73 SSTR5 (0.48) MAPTUSP2TP53LMNACYP1A2
SCHEMBL13258286 0.73 TP53 (0.67) HPGDMAPTTNFALDH1A1KDM4E
SCHEMBL12768325 0.73 NPC1 (0.72) MAPTALDH1A1KDM4ETSHRGALR3
Water SCHEMBL9303347 0.72 KCNH2 (0.48) MAPTUSP2TP53LMNACYP1A2
SCHEMBL9304114 0.72 HRH1 (0.42) TSHRLMNACYP2D6
Water SCHEMBL9302746 0.72 KCNH2 (0.48) MAPTUSP2TP53LMNACYP1A2

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-0539421-B1 NOVEL OXAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1998-09-23 EP disclosed
US-5278165-A Oxazolyl imidazol[4,5-b]pyridin and pyrimidine compounds JANSSEN PHARMACEUTICA N.V. (BE) 1994-01-11 US disclosed
US-5217980-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1993-06-08 US disclosed