SCHEMBL11546756

SCHEMBL11546756

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.47
▸ GUSB P08236 3/20 0.42
▸ CYP1A1 P04798 2/20 0.42
▸ CYP1B1 Q16678 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ POLB P06746 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ PDE3B Q13370 2/20 0.36
▸ PDE3A Q14432 2/20 0.36
▸ TUBB4A P04350 1/20 0.36

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
SCHEMBL11551636 0.91 SRC (0.56) SRCGUSBMEN1KMT2ASMN1; SMN2
SCHEMBL11548055 0.85 SRC (0.43) SRCGUSBCYP1A1CYP1B1CYP1A2
SCHEMBL11550042 0.84 SRC (0.50) SRCGUSBCYP1A1CYP1B1CYP1A2
SCHEMBL11549583 0.81 SRC (0.56) SRCGUSBMEN1KMT2ASMN1; SMN2
SCHEMBL11548520 0.81 SRC (0.43) SRCGUSBCYP1A1CYP1B1CYP1A2
SCHEMBL11553496 0.80 SRC (0.55) SRCGUSBMEN1KMT2ASMN1; SMN2
SCHEMBL11734775 0.78 SRC (0.53) SRCMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL11552437 0.78 SRC (0.53) SRCMEN1KMT2ASMN1; SMN2MAPT
Pirolate SCHEMBL11546568 0.76 SRC (0.51) SRCCYP1A2MEN1KMT2ASMN1; SMN2
SCHEMBL8198142 0.76 MEN1 (0.56) MEN1KMT2ASMN1; SMN2MAPTHPGD

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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