SCHEMBL11250277

SCHEMBL11250277

Clc1nc(NCCCSc2ccccc2)c2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.60
▸ PDE5A O76074 2/20 0.56
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ACP1 P24666 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ CASP6 P55212 1/20 0.43
▸ GBA1 P04062 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ SLC2A1 P11166 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD3 P35462 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
SCHEMBL11264589 0.92 APP (0.63) APPPDE5AMEN1KMT2AACP1
SCHEMBL11242191 0.91 APP (0.54) APPPDE5AMEN1KMT2AACP1
SCHEMBL11253738 0.89 APP (0.54) APPPDE5AMEN1KMT2AACP1
SCHEMBL11255663 0.88 APP (0.51) APPPDE5AMEN1KMT2AACP1
SCHEMBL11243542 0.83 APP (0.56) APPPDE5AMEN1KMT2APOLB
SCHEMBL11254484 0.80 APP (0.53) APPPDE5AMEN1KMT2APOLB
SCHEMBL30125146 0.80 APP (0.67) APPPDE5AMEN1KMT2AACP1
SCHEMBL15502283 0.80 ACP1 (0.68) APPPDE5AMEN1KMT2AACP1
SCHEMBL7330423 0.80 KMT2A (0.67) APPPDE5AMEN1KMT2APOLB
SCHEMBL23723479 0.80 KMT2A (0.70) APPPDE5AMEN1KMT2APOLB

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
US-4323680-A 4-Aminoquinazoline compounds useful as agricultural fungicides SANKYO COMPANY LIMITED (JP) 1982-04-06 — — US disclosed
US-4213987-A 4-AMINOQUINAZOLINES SANKYO COMPANY LIMITED (JP) 1980-07-22 — — US disclosed
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