SCHEMBL11548717

SCHEMBL11548717

CCOC(=O)Cc1nc2cc3ccccc3cc2c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.61
KDM4E B2RXH2 6/20 0.55
MAPT P10636 5/20 0.55
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
GAA P10253 2/20 0.55
USP2 O75604 2/20 0.55
NPC1 O15118 1/20 0.55
GLA P06280 1/20 0.55
HPGD P15428 1/20 0.55
RAB9A P51151 1/20 0.55
LMNA P02545 4/20 0.49
CHEK1 O14757 1/20 0.47
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
TNKS2 Q9H2K2 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AKT1 P31749 1/20 0.43

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
SCHEMBL4743261 0.86 HSD17B10 (0.69) HSD17B10KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL10084487 0.84 HSD17B10 (0.55) HSD17B10KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL24802486 0.81 HSD17B10 (0.53) HSD17B10KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL8199577 0.80 ALDH1A1 (0.57) HSD17B10KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL1218749 0.76 HSD17B10 (1.00) HSD17B10KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL31529600 0.76 HSD17B10 (1.00) HSD17B10KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL14684396 0.72 HSD17B10 (0.48) HSD17B10KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL11124552 0.72 HSD17B10 (0.67) HSD17B10KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL3558037 0.72 KDM4E (0.66) HSD17B10KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL11546086 0.72 KDM4E (1.00) HSD17B10KDM4EMAPTALDH1A1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4134981-A ANTIALLERGENS PFIZER INC. (US) 1979-01-16 US disclosed
US-4120962-A Fused pyrimidin-4(3H)-ones as antiallergy agents PFIZER INC. (US) 1978-10-17 US disclosed
US-4044134-A FUSED WITH QUINOLINE OR PYRIDINE, 2-METHYL, ETHYL, OR ACETYL GROUP PFIZER INC. (US) 1977-08-23 US disclosed
US-3974161-A Fused pyrimidin-4(3H)-ones as antiallergy agents PFIZER INC. (US) 1976-08-10 US disclosed