SCHEMBL8553080

SCHEMBL8553080

Clc1ccc(CN2CCOc3ccccc32)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2A13 Q16696 1/20 0.50
▸ P2RX7 Q99572 6/20 0.49
▸ SIGMAR1 Q99720 1/20 0.49
▸ TSHR P16473 2/20 0.48
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL31140543 0.87 TP53 (0.47) P2RX7TSHRKMT2APOLBDRD2
SCHEMBL9147970 0.76 TSHR (0.58) TSHRKMT2AHDAC1HDAC6
SCHEMBL7473233 0.73 SIRT1 (0.49) CYP2A13P2RX7SIGMAR1MAPTKDM4E
SCHEMBL8554596 0.71 HDAC1 (0.53) TSHRKMT2APOLBLMNADRD2
SCHEMBL2208731 0.71 HDAC1 (0.53) TSHRMAPTKMT2APOLBDRD2
SCHEMBL28238549 0.71 HDAC1 (0.56) TSHRKMT2APOLBDRD2DRD4
SCHEMBL23882024 0.70 TUBB4A (0.52) TSHRMAPTKMT2AMEN1LMNA
SCHEMBL1555164 0.70 KMT2A (0.55) TSHRMAPTKMT2APOLBLMNA
SCHEMBL5442628 0.69 TSHR (0.53) TSHRMAPTKMT2APOLBDRD2
SCHEMBL12388072 0.69 LMNA (0.52) TSHRKMT2ALMNASMN1; SMN2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869949-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-14 — — EP disclosed
WO-1997017333-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 — — WO disclosed
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