SCHEMBL11550042

SCHEMBL11550042

COc1cc2nc3nc(C)[nH]c(=O)c3cc2cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.50
▸ KDM4E B2RXH2 5/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 3/20 0.42
▸ GUSB P08236 3/20 0.42
▸ CYP1A1 P04798 2/20 0.42
▸ CYP1B1 Q16678 2/20 0.42
▸ GAA P10253 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ PDE3B Q13370 2/20 0.40
▸ PDE3A Q14432 2/20 0.40

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
SCHEMBL11546938 0.89 SRC (0.62) SRCKDM4EHSD17B10LMNACYP1A2
SCHEMBL11546756 0.84 SRC (0.47) SRCKDM4ECYP1A2GUSBCYP1A1
SCHEMBL20327078 0.82 KDM4E (0.56) KDM4EHSD17B10LMNACYP1A2GUSB
SCHEMBL11548055 0.81 SRC (0.43) SRCKDM4EHSD17B10LMNACYP1A2
SCHEMBL27041249 0.79 KDM4E (0.56) KDM4EHSD17B10LMNACYP1A2GUSB
SCHEMBL11548520 0.77 SRC (0.43) SRCKDM4EHSD17B10LMNACYP1A2
SCHEMBL11551636 0.74 SRC (0.56) SRCKDM4EGUSBGAAALDH1A1
SCHEMBL11549583 0.74 SRC (0.56) SRCKDM4EGUSBGAAALDH1A1
SCHEMBL11553496 0.73 SRC (0.55) SRCKDM4EHSD17B10LMNAGUSB
SCHEMBL6128121 0.72 KDM4E (0.62) KDM4EHSD17B10LMNAGAAALDH1A1

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
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